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

Systemtic Name: 9,9-dimethyl-6-pyridin-4-yl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 9,9-dimethyl-6-(4-pyridyl)-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 9,9-dimethyl-6-pyridin-4-yl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 9,9-dimethyl-6-pyridin-4-yl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 9,9-dimethyl-6-(4-pyridyl)-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Formula: C20H21N3O MolecularWeight: 319.40024

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2C(NC3=CC=CC=C3NC2=C1)C4=CC=NC=C4)C

Isomeric SMILES

CC1(CC(=O)C2C(NC3=CC=CC=C3NC2=C1)C4=CC=NC=C4)C

InChI

InChI=1S/C20H21N3O/c1-20(2)11-16-18(17(24)12-20)19(13-7-9-21-10-8-13)23-15-6-4-3-5-14(15)22-16/h3-11,18-19,22-23H,12H2,1-2H3