3,9,9-trimethyl-6-pyridin-3-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 3,9,9-trimethyl-6-pyridin-3-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 3,9,9-trimethyl-6-(3-pyridyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 3,9,9-trimethyl-6-(3-pyridinyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 3,9,9-trimethyl-6-pyridin-3-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 3,9,9-trimethyl-6-(3-pyridyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C(C(N2)C4=CN=CC=C4)C(=O)CC(C3)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C(C(N2)C4=CN=CC=C4)C(=O)CC(C3)(C)C

InChI

InChI=1S/C21H23N3O/c1-13-6-7-15-16(9-13)24-20(14-5-4-8-22-12-14)19-17(23-15)10-21(2,3)11-18(19)25/h4-9,12,20,23-24H,10-11H2,1-3H3