13-cyclohexyl-5-(2-dimethylaminoethyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid

Systemtic Name: 13-cyclohexyl-5-(2-dimethylaminoethyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid Openeye Name: 13-cyclohexyl-5-(2-dimethylaminoethyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid CAS Name: 13-cyclohexyl-5-(2-dimethylaminoethyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid IUPAC Name: 13-cyclohexyl-5-(2-dimethylaminoethyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid Traditional Name: 13-cyclohexyl-5-(2-dimethylaminoethyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid Formula: C27H33N3O2 MolecularWeight: 431.56982

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1CCN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=CC=CC=C41)C5CCCCC5

Isomeric SMILES

CN(C)CCN1CCN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=CC=CC=C41)C5CCCCC5

InChI

InChI=1S/C27H33N3O2/c1-28(2)14-15-29-16-17-30-24-18-20(27(31)32)12-13-21(24)25(19-8-4-3-5-9-19)26(30)22-10-6-7-11-23(22)29/h6-7,10-13,18-19H,3-5,8-9,14-17H2,1-2H3,(H,31,32)