ethyl 2-[4-(4-chlorophenyl)piperazin-1-yl]-4,5-diphenyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-[4-(4-chlorophenyl)piperazin-1-yl]-4,5-diphenyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2-[4-(4-chlorophenyl)piperazin-1-yl]-4,5-diphenyl-1H-pyrrole-3-carboxylate CAS Name: 2-[4-(4-chlorophenyl)-1-piperazinyl]-4,5-diphenyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-chlorophenyl)piperazin-1-yl]-4,5-diphenyl-1H-pyrrole-3-carboxylate Traditional Name: 2-[4-(4-chlorophenyl)piperazino]-4,5-diphenyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C29H28ClN3O2 MolecularWeight: 486.00452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)C3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)C3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H28ClN3O2/c1-2-35-29(34)26-25(21-9-5-3-6-10-21)27(22-11-7-4-8-12-22)31-28(26)33-19-17-32(18-20-33)24-15-13-23(30)14-16-24/h3-16,31H,2,17-20H2,1H3