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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > piperazines > [3-methyl-4-(3-methylphenyl)-1-piperazinyl]-[1-(7,8,9,10-tetrahydro-6h-purino[9,8-a]azepin-4-yl)-4-piperidinyl]methanone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > piperazines > [3-methyl-4-(3-methylphenyl)-1-piperazinyl]-[1-(7,8,9,10-tetrahydro-6h-purino[9,8-a]azepin-4-yl)-4-piperidinyl]methanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > piperazines > [3-methyl-4-(3-methylphenyl)-1-piperazinyl]-[1-(7,8,9,10-tetrahydro-6h-purino[9,8-a]azepin-4-yl)-4-piperidinyl]methanone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > piperazines > [3-methyl-4-(3-methylphenyl)-1-piperazinyl]-[1-(7,8,9,10-tetrahydro-6h-purino[9,8-a]azepin-4-yl)-4-piperidinyl]methanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > piperazines > [3-methyl-4-(3-methylphenyl)-1-piperazinyl]-[1-(7,8,9,10-tetrahydro-6h-purino[9,8-a]azepin-4-yl)-4-piperidinyl]methanone

Preferred term

[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-[1-(7,8,9,10-tetrahydro-6h-purino[9,8-a]azepin-4-yl)-4-piperidinyl]methanone  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C28H37N7O

inchi

  • InChI=1S/C28H37N7O/c1-20-7-6-8-23(17-20)34-16-15-33(18-21(34)2)28(36)22-10-13-32(14-11-22)26-25-27(30-19-29-26)35-12-5-3-4-9-24(35)31-25/h6-8,17,19,21-22H,3-5,9-16,18H2,1-2H3

inchikey

  • PJMXWGYUYMLFCR-UHFFFAOYSA-N

mass

  • 487.641

monoisotopicmass

  • 487.30596

smiles

  • CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3CCN(CC3)C4=NC=NC5=C4N=C6N5CCCCC6

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:122046

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