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

Systemtic Name: ethyl 2-methyl-1-[3-oxidanylidene-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-1-[3-oxo-3-[4-(2-pyridyl)piperazin-1-yl]propyl]-5-phenyl-pyrrole-3-carboxylate CAS Name: 2-methyl-1-[3-oxo-3-[4-(2-pyridinyl)-1-piperazinyl]propyl]-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-1-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[3-keto-3-[4-(2-pyridyl)piperazino]propyl]-2-methyl-5-phenyl-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=CC=C2)CCC(=O)N3CCN(CC3)C4=CC=CC=N4)C

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O3/c1-3-33-26(32)22-19-23(21-9-5-4-6-10-21)30(20(22)2)14-12-25(31)29-17-15-28(16-18-29)24-11-7-8-13-27-24/h4-11,13,19H,3,12,14-18H2,1-2H3