1-[3-(4-chlorophenyl)-4-(phenylcarbonyl)-2-piperazin-1-ylcarbonyl-5-thiophen-2-yl-pyrrolidin-1-yl]-2-methoxy-ethanone

Systemtic Name: 1-[3-(4-chlorophenyl)-4-(phenylcarbonyl)-2-piperazin-1-ylcarbonyl-5-thiophen-2-yl-pyrrolidin-1-yl]-2-methoxy-ethanone Openeye Name: 1-[4-benzoyl-3-(4-chlorophenyl)-2-(piperazine-1-carbonyl)-5-(2-thienyl)pyrrolidin-1-yl]-2-methoxy-ethanone CAS Name: 1-[4-benzoyl-3-(4-chlorophenyl)-2-[oxo(1-piperazinyl)methyl]-5-thiophen-2-yl-1-pyrrolidinyl]-2-methoxyethanone IUPAC Name: 1-[4-benzoyl-3-(4-chlorophenyl)-2-(piperazine-1-carbonyl)-5-thiophen-2-ylpyrrolidin-1-yl]-2-methoxyethanone Traditional Name: 1-[4-benzoyl-3-(4-chlorophenyl)-2-(piperazine-1-carbonyl)-5-(2-thienyl)pyrrolidino]-2-methoxy-ethanone Formula: C29H30ClN3O4S MolecularWeight: 552.0842

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

COCC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C29H30ClN3O4S/c1-37-18-23(34)33-26(22-8-5-17-38-22)25(28(35)20-6-3-2-4-7-20)24(19-9-11-21(30)12-10-19)27(33)29(36)32-15-13-31-14-16-32/h2-12,17,24-27,31H,13-16,18H2,1H3