ethyl 1-ethyl-2,5-dimethyl-4-[(E)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 1-ethyl-2,5-dimethyl-4-[(E)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]pyrrole-3-carboxylate Openeye Name: ethyl 1-ethyl-2,5-dimethyl-4-[(E)-3-[4-(m-tolyl)piperazin-1-yl]-3-oxo-prop-1-enyl]pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-4-[(E)-3-[4-(3-methylphenyl)-1-piperazinyl]-3-oxoprop-1-enyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2,5-dimethyl-4-[(E)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxoprop-1-enyl]pyrrole-3-carboxylate Traditional Name: 1-ethyl-4-[(E)-3-keto-3-[4-(m-tolyl)piperazino]prop-1-enyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C)C(=O)OCC)C=CC(=O)N2CCN(CC2)C3=CC=CC(=C3)C)C

Isomeric SMILES

CCN1C(=C(C(=C1C)C(=O)OCC)/C=C/C(=O)N2CCN(CC2)C3=CC=CC(=C3)C)C

InChI

InChI=1S/C25H33N3O3/c1-6-28-19(4)22(24(20(28)5)25(30)31-7-2)11-12-23(29)27-15-13-26(14-16-27)21-10-8-9-18(3)17-21/h8-12,17H,6-7,13-16H2,1-5H3/b12-11+