1-[2-(4-methoxyphenyl)-3-(4-nitrophenyl)carbonyl-5-piperazin-1-ylcarbonyl-4-thiophen-2-yl-pyrrolidin-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[2-(4-methoxyphenyl)-3-(4-nitrophenyl)carbonyl-5-piperazin-1-ylcarbonyl-4-thiophen-2-yl-pyrrolidin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[2-(4-methoxyphenyl)-3-(4-nitrobenzoyl)-5-(piperazine-1-carbonyl)-4-(2-thienyl)pyrrolidin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[2-(4-methoxyphenyl)-3-[(4-nitrophenyl)-oxomethyl]-5-[oxo(1-piperazinyl)methyl]-4-thiophen-2-yl-1-pyrrolidinyl]-3-methyl-1-butanone IUPAC Name: 1-[2-(4-methoxyphenyl)-3-(4-nitrobenzoyl)-5-(piperazine-1-carbonyl)-4-thiophen-2-ylpyrrolidin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[2-(4-methoxyphenyl)-3-(4-nitrobenzoyl)-5-(piperazine-1-carbonyl)-4-(2-thienyl)pyrrolidino]-3-methyl-butan-1-one Formula: C32H36N4O6S MolecularWeight: 604.71644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=CS3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)OC

Isomeric SMILES

CC(C)CC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=CS3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)OC

InChI

InChI=1S/C32H36N4O6S/c1-20(2)19-26(37)35-29(21-8-12-24(42-3)13-9-21)28(31(38)22-6-10-23(11-7-22)36(40)41)27(25-5-4-18-43-25)30(35)32(39)34-16-14-33-15-17-34/h4-13,18,20,27-30,33H,14-17,19H2,1-3H3