[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 4,6-dimethyl-1H-indole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 4,6-dimethyl-1H-indole-2-carboxylate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4,6-dimethyl-1H-indole-2-carboxylate CAS Name: 4,6-dimethyl-1H-indole-2-carboxylic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4,6-dimethyl-1H-indole-2-carboxylate Traditional Name: 4,6-dimethyl-1H-indole-2-carboxylic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(NC2=C1)C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C=C(NC2=C1)C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H25N3O3/c1-16-12-17(2)19-14-21(24-20(19)13-16)23(28)29-15-22(27)26-10-8-25(9-11-26)18-6-4-3-5-7-18/h3-7,12-14,24H,8-11,15H2,1-2H3