1-[2-(4-chlorophenyl)-3-(2-methylphenyl)carbonyl-4-(3-methylthiophen-2-yl)-5-piperazin-1-ylcarbonyl-pyrrolidin-1-yl]-2-methoxy-ethanone

Systemtic Name: 1-[2-(4-chlorophenyl)-3-(2-methylphenyl)carbonyl-4-(3-methylthiophen-2-yl)-5-piperazin-1-ylcarbonyl-pyrrolidin-1-yl]-2-methoxy-ethanone Openeye Name: 1-[2-(4-chlorophenyl)-3-(2-methylbenzoyl)-4-(3-methyl-2-thienyl)-5-(piperazine-1-carbonyl)pyrrolidin-1-yl]-2-methoxy-ethanone CAS Name: 1-[2-(4-chlorophenyl)-3-[(2-methylphenyl)-oxomethyl]-4-(3-methyl-2-thiophenyl)-5-[oxo(1-piperazinyl)methyl]-1-pyrrolidinyl]-2-methoxyethanone IUPAC Name: 1-[2-(4-chlorophenyl)-3-(2-methylbenzoyl)-4-(3-methylthiophen-2-yl)-5-(piperazine-1-carbonyl)pyrrolidin-1-yl]-2-methoxyethanone Traditional Name: 1-[2-(4-chlorophenyl)-4-(3-methyl-2-thienyl)-3-o-toluoyl-5-(piperazine-1-carbonyl)pyrrolidino]-2-methoxy-ethanone Formula: C31H34ClN3O4S MolecularWeight: 580.13736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C(C(N(C2C(=O)N3CCNCC3)C(=O)COC)C4=CC=C(C=C4)Cl)C(=O)C5=CC=CC=C5C

Isomeric SMILES

CC1=C(SC=C1)C2C(C(N(C2C(=O)N3CCNCC3)C(=O)COC)C4=CC=C(C=C4)Cl)C(=O)C5=CC=CC=C5C

InChI

InChI=1S/C31H34ClN3O4S/c1-19-6-4-5-7-23(19)29(37)25-26(30-20(2)12-17-40-30)28(31(38)34-15-13-33-14-16-34)35(24(36)18-39-3)27(25)21-8-10-22(32)11-9-21/h4-12,17,25-28,33H,13-16,18H2,1-3H3