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

Systemtic Name: 1-[4-(4-chlorophenyl)-2-(3-nitrophenyl)-5-piperazin-1-ylcarbonyl-3-thiophen-2-ylcarbonyl-pyrrolidin-1-yl]-2-methoxy-ethanone Openeye Name: 1-[4-(4-chlorophenyl)-2-(3-nitrophenyl)-5-(piperazine-1-carbonyl)-3-(thiophene-2-carbonyl)pyrrolidin-1-yl]-2-methoxy-ethanone CAS Name: 1-[4-(4-chlorophenyl)-2-(3-nitrophenyl)-5-[oxo(1-piperazinyl)methyl]-3-[oxo(thiophen-2-yl)methyl]-1-pyrrolidinyl]-2-methoxyethanone IUPAC Name: 1-[4-(4-chlorophenyl)-2-(3-nitrophenyl)-5-(piperazine-1-carbonyl)-3-(thiophene-2-carbonyl)pyrrolidin-1-yl]-2-methoxyethanone Traditional Name: 1-[4-(4-chlorophenyl)-2-(3-nitrophenyl)-5-(piperazine-1-carbonyl)-3-(2-thenoyl)pyrrolidino]-2-methoxy-ethanone Formula: C29H29ClN4O6S MolecularWeight: 597.08176

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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=CS4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COCC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CS4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H29ClN4O6S/c1-40-17-23(35)33-26(19-4-2-5-21(16-19)34(38)39)25(28(36)22-6-3-15-41-22)24(18-7-9-20(30)10-8-18)27(33)29(37)32-13-11-31-12-14-32/h2-10,15-16,24-27,31H,11-14,17H2,1H3