9,9-dimethyl-5-propanoyl-6-pyridin-3-yl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 9,9-dimethyl-5-propanoyl-6-pyridin-3-yl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: 9,9-dimethyl-5-propanoyl-6-(3-pyridyl)-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: 9,9-dimethyl-5-(1-oxopropyl)-6-(3-pyridinyl)-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: 9,9-dimethyl-5-propanoyl-6-pyridin-3-yl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: 9,9-dimethyl-5-propionyl-6-(3-pyridyl)-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C23H25N3O2 MolecularWeight: 375.4635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(C2C(=O)CC(C=C2NC3=CC=CC=C31)(C)C)C4=CN=CC=C4

Isomeric SMILES

CCC(=O)N1C(C2C(=O)CC(C=C2NC3=CC=CC=C31)(C)C)C4=CN=CC=C4

InChI

InChI=1S/C23H25N3O2/c1-4-20(28)26-18-10-6-5-9-16(18)25-17-12-23(2,3)13-19(27)21(17)22(26)15-8-7-11-24-14-15/h5-12,14,21-22,25H,4,13H2,1-3H3