(2R)-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-1-(4-fluorophenyl)carbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-1-(4-fluorophenyl)carbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-1-(4-fluorobenzoyl)piperidine-2-carboxamide CAS Name: (2R)-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-1-[(4-fluorophenyl)-oxomethyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-1-(4-fluorobenzoyl)piperidine-2-carboxamide Traditional Name: (2R)-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropyl-(4-nitrobenzyl)amino]-1-(4-fluorobenzoyl)pipecolinamide Formula: C31H40FN5O4 MolecularWeight: 565.678803

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)CNC(=O)C2CC(CCN2C(=O)C3=CC=C(C=C3)F)N(CC4=CC=C(C=C4)[N+](=O)[O-])C5CC5)CN

Isomeric SMILES

C1CC(CC(C1)CNC(=O)[C@H]2CC(CCN2C(=O)C3=CC=C(C=C3)F)N(CC4=CC=C(C=C4)[N+](=O)[O-])C5CC5)CN

InChI

InChI=1S/C31H40FN5O4/c32-25-8-6-24(7-9-25)31(39)35-15-14-28(17-29(35)30(38)34-19-23-3-1-2-22(16-23)18-33)36(26-12-13-26)20-21-4-10-27(11-5-21)37(40)41/h4-11,22-23,26,28-29H,1-3,12-20,33H2,(H,34,38)/t22?,23?,28?,29-/m1/s1