1-[4-[5-(4-chlorophenyl)-2-methyl-1-(3-methylphenyl)pyrrol-3-yl]carbonylpiperazin-1-yl]octan-1-one

Systemtic Name: 1-[4-[5-(4-chlorophenyl)-2-methyl-1-(3-methylphenyl)pyrrol-3-yl]carbonylpiperazin-1-yl]octan-1-one Openeye Name: 1-[4-[5-(4-chlorophenyl)-2-methyl-1-(m-tolyl)pyrrole-3-carbonyl]piperazin-1-yl]octan-1-one CAS Name: 1-[4-[[5-(4-chlorophenyl)-2-methyl-1-(3-methylphenyl)-3-pyrrolyl]-oxomethyl]-1-piperazinyl]-1-octanone IUPAC Name: 1-[4-[5-(4-chlorophenyl)-2-methyl-1-(3-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]octan-1-one Traditional Name: 1-[4-[5-(4-chlorophenyl)-2-methyl-1-(m-tolyl)pyrrole-3-carbonyl]piperazino]octan-1-one Formula: C31H38ClN3O2 MolecularWeight: 520.10532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H38ClN3O2/c1-4-5-6-7-8-12-30(36)33-17-19-34(20-18-33)31(37)28-22-29(25-13-15-26(32)16-14-25)35(24(28)3)27-11-9-10-23(2)21-27/h9-11,13-16,21-22H,4-8,12,17-20H2,1-3H3