(6S)-9,9-dimethyl-5-pentanoyl-6-pyridin-3-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: (6S)-9,9-dimethyl-5-pentanoyl-6-pyridin-3-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: (6S)-9,9-dimethyl-5-pentanoyl-6-(3-pyridyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: (6S)-9,9-dimethyl-5-(1-oxopentyl)-6-(3-pyridinyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6S)-9,9-dimethyl-5-pentanoyl-6-pyridin-3-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: (6S)-9,9-dimethyl-6-(3-pyridyl)-5-valeryl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CN=CC=C4

Isomeric SMILES

CCCCC(=O)N1[C@H](C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CN=CC=C4

InChI

InChI=1S/C25H29N3O2/c1-4-5-12-22(30)28-20-11-7-6-10-18(20)27-19-14-25(2,3)15-21(29)23(19)24(28)17-9-8-13-26-16-17/h6-11,13,16,24,27H,4-5,12,14-15H2,1-3H3/t24-/m0/s1