methyl 13,13-dimethyl-7-oxidanylidene-11b,12-dihydro-5H-isoindolo[2,1-b][2]benzazepine-8-carboxylate

Systemtic Name: methyl 13,13-dimethyl-7-oxidanylidene-11b,12-dihydro-5H-isoindolo[2,1-b][2]benzazepine-8-carboxylate Openeye Name: methyl 13,13-dimethyl-7-oxo-11b,12-dihydro-5H-isoindolo[2,1-b][2]benzazepine-8-carboxylate CAS Name: 13,13-dimethyl-7-oxo-11b,12-dihydro-5H-isoindolo[2,1-b][2]benzazepine-8-carboxylic acid methyl ester IUPAC Name: methyl 13,13-dimethyl-7-oxo-11b,12-dihydro-5H-isoindolo[2,1-b][2]benzazepine-8-carboxylate Traditional Name: 7-keto-13,13-dimethyl-11b,12-dihydro-5H-isoindolo[2,1-b][2]benzazepine-8-carboxylic acid methyl ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2C3=CC=CC(=C3C(=O)N2CC4=CC=CC=C41)C(=O)OC)C

Isomeric SMILES

CC1(CC2C3=CC=CC(=C3C(=O)N2CC4=CC=CC=C41)C(=O)OC)C

InChI

InChI=1S/C21H21NO3/c1-21(2)11-17-14-8-6-9-15(20(24)25-3)18(14)19(23)22(17)12-13-7-4-5-10-16(13)21/h4-10,17H,11-12H2,1-3H3