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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[isobutyl-[(4-nitrophenyl)methyl]amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[isobutyl-(4-nitrobenzyl)amino]-1-nicotinoyl-pipecolinamide Formula: C29H40N6O4 MolecularWeight: 536.6657

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=C(C=C1)[N+](=O)[O-])C2CCN(C(C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CN=CC=C4

Isomeric SMILES

CC(C)CN(CC1=CC=C(C=C1)[N+](=O)[O-])C2CCN([C@H](C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C29H40N6O4/c1-20(2)18-33(19-21-5-11-25(12-6-21)35(38)39)26-13-15-34(29(37)22-4-3-14-31-17-22)27(16-26)28(36)32-24-9-7-23(30)8-10-24/h3-6,11-12,14,17,20,23-24,26-27H,7-10,13,15-16,18-19,30H2,1-2H3,(H,32,36)/t23?,24?,26?,27-/m1/s1