2-(4-methylphenyl)-3-(4-nitrophenyl)carbonyl-5-piperazin-1-ylcarbonyl-N-propyl-4-thiophen-2-yl-pyrrolidine-1-carboxamide

Systemtic Name: 2-(4-methylphenyl)-3-(4-nitrophenyl)carbonyl-5-piperazin-1-ylcarbonyl-N-propyl-4-thiophen-2-yl-pyrrolidine-1-carboxamide Openeye Name: 4-(4-nitrobenzoyl)-2-(piperazine-1-carbonyl)-N-propyl-5-(p-tolyl)-3-(2-thienyl)pyrrolidine-1-carboxamide CAS Name: 2-(4-methylphenyl)-3-[(4-nitrophenyl)-oxomethyl]-5-[oxo(1-piperazinyl)methyl]-N-propyl-4-thiophen-2-yl-1-pyrrolidinecarboxamide IUPAC Name: 2-(4-methylphenyl)-3-(4-nitrobenzoyl)-5-(piperazine-1-carbonyl)-N-propyl-4-thiophen-2-ylpyrrolidine-1-carboxamide Traditional Name: 4-(4-nitrobenzoyl)-2-(piperazine-1-carbonyl)-N-propyl-5-(p-tolyl)-3-(2-thienyl)pyrrolidine-1-carboxamide Formula: C31H35N5O5S MolecularWeight: 589.7051

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=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)C

Isomeric SMILES

CCCNC(=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)C

InChI

InChI=1S/C31H35N5O5S/c1-3-14-33-31(39)35-27(21-8-6-20(2)7-9-21)26(29(37)22-10-12-23(13-11-22)36(40)41)25(24-5-4-19-42-24)28(35)30(38)34-17-15-32-16-18-34/h4-13,19,25-28,32H,3,14-18H2,1-2H3,(H,33,39)