2-(4-chlorophenyl)-3-cyclohexyl-1-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]indole-6-carboxylic acid

Systemtic Name: 2-(4-chlorophenyl)-3-cyclohexyl-1-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]indole-6-carboxylic acid Openeye Name: 2-(4-chlorophenyl)-3-cyclohexyl-1-[2-(4-isopropylpiperazin-1-yl)-2-oxo-ethyl]indole-6-carboxylic acid CAS Name: 2-(4-chlorophenyl)-3-cyclohexyl-1-[2-oxo-2-(4-propan-2-yl-1-piperazinyl)ethyl]-6-indolecarboxylic acid IUPAC Name: 2-(4-chlorophenyl)-3-cyclohexyl-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]indole-6-carboxylic acid Traditional Name: 2-(4-chlorophenyl)-3-cyclohexyl-1-[2-(4-isopropylpiperazino)-2-keto-ethyl]indole-6-carboxylic acid Formula: C30H36ClN3O3 MolecularWeight: 522.07814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C(=O)CN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=CC=C(C=C4)Cl)C5CCCCC5

Isomeric SMILES

CC(C)N1CCN(CC1)C(=O)CN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=CC=C(C=C4)Cl)C5CCCCC5

InChI

InChI=1S/C30H36ClN3O3/c1-20(2)32-14-16-33(17-15-32)27(35)19-34-26-18-23(30(36)37)10-13-25(26)28(21-6-4-3-5-7-21)29(34)22-8-11-24(31)12-9-22/h8-13,18,20-21H,3-7,14-17,19H2,1-2H3,(H,36,37)