13-cyclohexyl-6-(dimethylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid

Systemtic Name: 13-cyclohexyl-6-(dimethylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Openeye Name: 13-cyclohexyl-6-(dimethylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid CAS Name: 13-cyclohexyl-6-[dimethylamino(oxo)methyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid IUPAC Name: 13-cyclohexyl-6-(dimethylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Traditional Name: 13-cyclohexyl-6-(dimethylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC2=CC=CC=C2C3=C(C4=C(N3C1)C=C(C=C4)C(=O)O)C5CCCCC5

Isomeric SMILES

CN(C)C(=O)C1=CC2=CC=CC=C2C3=C(C4=C(N3C1)C=C(C=C4)C(=O)O)C5CCCCC5

InChI

InChI=1S/C27H28N2O3/c1-28(2)26(30)20-14-18-10-6-7-11-21(18)25-24(17-8-4-3-5-9-17)22-13-12-19(27(31)32)15-23(22)29(25)16-20/h6-7,10-15,17H,3-5,8-9,16H2,1-2H3,(H,31,32)