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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(4-nitrophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-nitrophenyl)methyl-(tetrahydrofuran-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-nitrophenyl)methyl-(2-oxolanylmethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-nitrophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-1-nicotinoyl-4-[(4-nitrobenzyl)-(tetrahydrofurfuryl)amino]pipecolinamide Formula: C30H40N6O5 MolecularWeight: 564.6758

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3CCN(C(C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CN=CC=C5

Isomeric SMILES

C1CC(OC1)CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3CCN([C@H](C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C30H40N6O5/c31-23-7-9-24(10-8-23)33-29(37)28-17-26(13-15-35(28)30(38)22-3-1-14-32-18-22)34(20-27-4-2-16-41-27)19-21-5-11-25(12-6-21)36(39)40/h1,3,5-6,11-12,14,18,23-24,26-28H,2,4,7-10,13,15-17,19-20,31H2,(H,33,37)/t23?,24?,26?,27?,28-/m1/s1