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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(C(N2C(=O)NC(C)C)C(=O)N3CCNCC3)C4=CC=CS4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2C(C(C(N2C(=O)NC(C)C)C(=O)N3CCNCC3)C4=CC=CS4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

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