ethyl 2-methyl-5-(4-methylphenyl)-1-[3-oxidanylidene-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-(4-methylphenyl)-1-[3-oxidanylidene-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-1-[3-oxo-3-[4-(2-pyridyl)piperazin-1-yl]propyl]-5-(p-tolyl)pyrrole-3-carboxylate CAS Name: 2-methyl-5-(4-methylphenyl)-1-[3-oxo-3-[4-(2-pyridinyl)-1-piperazinyl]propyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-(4-methylphenyl)-1-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrrole-3-carboxylate Traditional Name: 1-[3-keto-3-[4-(2-pyridyl)piperazino]propyl]-2-methyl-5-(p-tolyl)pyrrole-3-carboxylic acid ethyl ester Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)C)CCC(=O)N3CCN(CC3)C4=CC=CC=N4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)C)CCC(=O)N3CCN(CC3)C4=CC=CC=N4)C

InChI

InChI=1S/C27H32N4O3/c1-4-34-27(33)23-19-24(22-10-8-20(2)9-11-22)31(21(23)3)14-12-26(32)30-17-15-29(16-18-30)25-7-5-6-13-28-25/h5-11,13,19H,4,12,14-18H2,1-3H3