[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-phenyl-3-pyrrolecarboxylic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3/c1-19-17-23(20(2)28(19)22-11-7-4-8-12-22)25(30)31-18-24(29)27-15-13-26(14-16-27)21-9-5-3-6-10-21/h3-12,17H,13-16,18H2,1-2H3