[4-(4-fluorophenyl)-2-(3-nitrophenyl)-5-piperazin-1-ylcarbonyl-1-thiophen-2-ylcarbonyl-pyrrolidin-3-yl]-(3-methylphenyl)methanone

Systemtic Name: [4-(4-fluorophenyl)-2-(3-nitrophenyl)-5-piperazin-1-ylcarbonyl-1-thiophen-2-ylcarbonyl-pyrrolidin-3-yl]-(3-methylphenyl)methanone Openeye Name: [4-(4-fluorophenyl)-2-(3-nitrophenyl)-5-(piperazine-1-carbonyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-(m-tolyl)methanone CAS Name: [4-(4-fluorophenyl)-2-(3-nitrophenyl)-5-[oxo(1-piperazinyl)methyl]-1-[oxo(thiophen-2-yl)methyl]-3-pyrrolidinyl]-(3-methylphenyl)methanone IUPAC Name: [4-(4-fluorophenyl)-2-(3-nitrophenyl)-5-(piperazine-1-carbonyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-(3-methylphenyl)methanone Traditional Name: [4-(4-fluorophenyl)-2-(3-nitrophenyl)-5-(piperazine-1-carbonyl)-1-(2-thenoyl)pyrrolidin-3-yl]-(m-tolyl)methanone Formula: C34H31FN4O5S MolecularWeight: 626.697143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2C(C(N(C2C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CS4)C(=O)N5CCNCC5)C6=CC=C(C=C6)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C2C(C(N(C2C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CS4)C(=O)N5CCNCC5)C6=CC=C(C=C6)F

InChI

InChI=1S/C34H31FN4O5S/c1-21-5-2-7-24(19-21)32(40)29-28(22-10-12-25(35)13-11-22)31(34(42)37-16-14-36-15-17-37)38(33(41)27-9-4-18-45-27)30(29)23-6-3-8-26(20-23)39(43)44/h2-13,18-20,28-31,36H,14-17H2,1H3