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

Systemtic Name: 3-methyl-1-[3-(4-nitrophenyl)-4-(phenylcarbonyl)-2-piperazin-1-ylcarbonyl-5-thiophen-2-yl-pyrrolidin-1-yl]butan-1-one Openeye Name: 1-[4-benzoyl-3-(4-nitrophenyl)-2-(piperazine-1-carbonyl)-5-(2-thienyl)pyrrolidin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-benzoyl-3-(4-nitrophenyl)-2-[oxo(1-piperazinyl)methyl]-5-thiophen-2-yl-1-pyrrolidinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-benzoyl-3-(4-nitrophenyl)-2-(piperazine-1-carbonyl)-5-thiophen-2-ylpyrrolidin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-benzoyl-3-(4-nitrophenyl)-2-(piperazine-1-carbonyl)-5-(2-thienyl)pyrrolidino]-3-methyl-butan-1-one Formula: C31H34N4O5S MolecularWeight: 574.69046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CC(C)CC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C31H34N4O5S/c1-20(2)19-25(36)34-28(24-9-6-18-41-24)27(30(37)22-7-4-3-5-8-22)26(21-10-12-23(13-11-21)35(39)40)29(34)31(38)33-16-14-32-15-17-33/h3-13,18,20,26-29,32H,14-17,19H2,1-2H3