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

Systemtic Name: 13-cyclohexyl-5-(2-dimethylaminoethyl)-6-oxidanylidene-7H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid Openeye Name: 13-cyclohexyl-5-(2-dimethylaminoethyl)-6-oxo-7H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid CAS Name: 13-cyclohexyl-5-(2-dimethylaminoethyl)-6-oxo-7H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid IUPAC Name: 13-cyclohexyl-5-(2-dimethylaminoethyl)-6-oxo-7H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid Traditional Name: 13-cyclohexyl-5-(2-dimethylaminoethyl)-6-keto-7H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C(=O)CN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=CC=CC=C41)C5CCCCC5

Isomeric SMILES

CN(C)CCN1C(=O)CN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=CC=CC=C41)C5CCCCC5

InChI

InChI=1S/C27H31N3O3/c1-28(2)14-15-29-22-11-7-6-10-21(22)26-25(18-8-4-3-5-9-18)20-13-12-19(27(32)33)16-23(20)30(26)17-24(29)31/h6-7,10-13,16,18H,3-5,8-9,14-15,17H2,1-2H3,(H,32,33)