methyl 9,9-dimethyl-7-oxidanylidene-6-pyridin-3-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylate

Systemtic Name: methyl 9,9-dimethyl-7-oxidanylidene-6-pyridin-3-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylate Openeye Name: methyl 9,9-dimethyl-7-oxo-6-(3-pyridyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylate CAS Name: 9,9-dimethyl-7-oxo-6-(3-pyridinyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid methyl ester IUPAC Name: methyl 9,9-dimethyl-7-oxo-6-pyridin-3-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylate Traditional Name: 7-keto-9,9-dimethyl-6-(3-pyridyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid methyl ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3/c1-22(2)10-17-19(18(26)11-22)20(14-5-4-8-23-12-14)25-15-7-6-13(21(27)28-3)9-16(15)24-17/h4-9,12,20,24-25H,10-11H2,1-3H3