N-(4-azanylcyclohexyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[(4-nitrophenyl)methyl-(2-thienylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-nicotinoyl-4-[(4-nitrobenzyl)-(2-thenyl)amino]pyrrolidine-2-carboxamide Formula: C29H34N6O4S MolecularWeight: 562.68306

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CC4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CS5

Isomeric SMILES

C1CC(CCC1N)NC(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CC4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CS5

InChI

InChI=1S/C29H34N6O4S/c30-22-7-9-23(10-8-22)32-28(36)27-15-25(18-34(27)29(37)21-3-1-13-31-16-21)33(19-26-4-2-14-40-26)17-20-5-11-24(12-6-20)35(38)39/h1-6,11-14,16,22-23,25,27H,7-10,15,17-19,30H2,(H,32,36)