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

Systemtic Name: N-(4-azanylcyclohexyl)-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[isobutyl-[(4-nitrophenyl)methyl]amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[isobutyl-(4-nitrobenzyl)amino]-1-nicotinoyl-pyrrolidine-2-carboxamide Formula: C28H38N6O4 MolecularWeight: 522.63912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=C(C=C1)[N+](=O)[O-])C2CC(N(C2)C(=O)C3=CN=CC=C3)C(=O)NC4CCC(CC4)N

Isomeric SMILES

CC(C)CN(CC1=CC=C(C=C1)[N+](=O)[O-])C2CC(N(C2)C(=O)C3=CN=CC=C3)C(=O)NC4CCC(CC4)N

InChI

InChI=1S/C28H38N6O4/c1-19(2)16-32(17-20-5-11-24(12-6-20)34(37)38)25-14-26(27(35)31-23-9-7-22(29)8-10-23)33(18-25)28(36)21-4-3-13-30-15-21/h3-6,11-13,15,19,22-23,25-26H,7-10,14,16-18,29H2,1-2H3,(H,31,35)