2-(4-chlorophenyl)-3-cyclohexyl-1-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxidanylidene-ethyl]indole-6-carboxylic acid

Systemtic Name: 2-(4-chlorophenyl)-3-cyclohexyl-1-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxidanylidene-ethyl]indole-6-carboxylic acid Openeye Name: 2-(4-chlorophenyl)-3-cyclohexyl-1-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxo-ethyl]indole-6-carboxylic acid CAS Name: 2-(4-chlorophenyl)-3-cyclohexyl-1-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-6-indolecarboxylic acid IUPAC Name: 2-(4-chlorophenyl)-3-cyclohexyl-1-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]indole-6-carboxylic acid Traditional Name: 2-(4-chlorophenyl)-3-cyclohexyl-1-[2-keto-2-(4-methyl-1,4-diazepan-1-yl)ethyl]indole-6-carboxylic acid Formula: C29H34ClN3O3 MolecularWeight: 508.05156

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=O)CN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=CC=C(C=C4)Cl)C5CCCCC5

Isomeric SMILES

CN1CCCN(CC1)C(=O)CN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=CC=C(C=C4)Cl)C5CCCCC5

InChI

InChI=1S/C29H34ClN3O3/c1-31-14-5-15-32(17-16-31)26(34)19-33-25-18-22(29(35)36)10-13-24(25)27(20-6-3-2-4-7-20)28(33)21-8-11-23(30)12-9-21/h8-13,18,20H,2-7,14-17,19H2,1H3,(H,35,36)