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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[2-methoxyethyl-[(4-nitrophenyl)methyl]amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(4-nitrophenyl)methyl]amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(4-nitrophenyl)methyl]amino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(4-nitrophenyl)methyl]amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-(4-nitrobenzyl)amino]-1-nicotinoyl-pipecolinamide Formula: C28H38N6O5 MolecularWeight: 538.63852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COCCN(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/C28H38N6O5/c1-39-16-15-32(19-20-4-10-24(11-5-20)34(37)38)25-12-14-33(28(36)21-3-2-13-30-18-21)26(17-25)27(35)31-23-8-6-22(29)7-9-23/h2-5,10-11,13,18,22-23,25-26H,6-9,12,14-17,19,29H2,1H3,(H,31,35)/t22?,23?,25?,26-/m1/s1