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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-1-ethanoyl-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]piperidine-2-carboxamide Openeye Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[isobutyl-[(4-nitrophenyl)methyl]amino]piperidine-2-carboxamide CAS Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-2-piperidinecarboxamide IUPAC Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]piperidine-2-carboxamide Traditional Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[isobutyl-(4-nitrobenzyl)amino]pipecolinamide Formula: C25H39N5O4 MolecularWeight: 473.60826

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H39N5O4/c1-17(2)15-28(16-19-4-10-22(11-5-19)30(33)34)23-12-13-29(18(3)31)24(14-23)25(32)27-21-8-6-20(26)7-9-21/h4-5,10-11,17,20-21,23-24H,6-9,12-16,26H2,1-3H3,(H,27,32)/t20?,21?,23?,24-/m1/s1