11-methyl-3-(1-oxidanylcyclohexyl)carbonyl-benzo[b][1]benzazepine-5,6-dione

Systemtic Name: 11-methyl-3-(1-oxidanylcyclohexyl)carbonyl-benzo[b][1]benzazepine-5,6-dione Openeye Name: 3-(1-hydroxycyclohexanecarbonyl)-11-methyl-benzo[b][1]benzazepine-5,6-dione CAS Name: 3-[(1-hydroxycyclohexyl)-oxomethyl]-11-methylbenzo[b][1]benzazepine-5,6-dione IUPAC Name: 3-(1-hydroxycyclohexanecarbonyl)-11-methylbenzo[b][1]benzazepine-5,6-dione Traditional Name: 3-(1-hydroxycyclohexanecarbonyl)-11-methyl-benzo[b][1]benzazepine-5,6-quinone Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)C3(CCCCC3)O)C(=O)C(=O)C4=CC=CC=C41

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)C3(CCCCC3)O)C(=O)C(=O)C4=CC=CC=C41

InChI

InChI=1S/C22H21NO4/c1-23-17-8-4-3-7-15(17)19(24)20(25)16-13-14(9-10-18(16)23)21(26)22(27)11-5-2-6-12-22/h3-4,7-10,13,27H,2,5-6,11-12H2,1H3