ethyl 4-[2-methyl-1-(4-methylphenyl)-5-phenyl-pyrrol-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-methyl-1-(4-methylphenyl)-5-phenyl-pyrrol-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-methyl-5-phenyl-1-(p-tolyl)pyrrole-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-methyl-1-(4-methylphenyl)-5-phenyl-3-pyrrolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-methyl-1-(4-methylphenyl)-5-phenylpyrrole-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-methyl-5-phenyl-1-(p-tolyl)pyrrole-3-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N(C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N(C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C26H29N3O3/c1-4-32-26(31)28-16-14-27(15-17-28)25(30)23-18-24(21-8-6-5-7-9-21)29(20(23)3)22-12-10-19(2)11-13-22/h5-13,18H,4,14-17H2,1-3H3