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

Systemtic Name: ethyl 2-methyl-5-(4-methylphenyl)-1-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-1-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]-5-(p-tolyl)pyrrole-3-carboxylate CAS Name: 2-methyl-5-(4-methylphenyl)-1-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-(4-methylphenyl)-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrrole-3-carboxylate Traditional Name: 1-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]-2-methyl-5-(p-tolyl)pyrrole-3-carboxylic acid ethyl ester Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O3/c1-4-33-26(32)22-17-23(21-10-8-19(2)9-11-21)30(20(22)3)18-25(31)29-15-13-28(14-16-29)24-7-5-6-12-27-24/h5-12,17H,4,13-16,18H2,1-3H3