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

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[isobutyl-[(4-nitrophenyl)methyl]amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[isobutyl-(4-nitrobenzyl)amino]-1-nicotinoyl-pipecolinamide Formula: C25H34N6O4 MolecularWeight: 482.57526

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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)NCCN)C(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C)CN(CC1=CC=C(C=C1)[N+](=O)[O-])C2CCN([C@H](C2)C(=O)NCCN)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C25H34N6O4/c1-18(2)16-29(17-19-5-7-21(8-6-19)31(34)35)22-9-13-30(23(14-22)24(32)28-12-10-26)25(33)20-4-3-11-27-15-20/h3-8,11,15,18,22-23H,9-10,12-14,16-17,26H2,1-2H3,(H,28,32)/t22?,23-/m1/s1