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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-1-ethanoyl-piperidine-2-carboxamide Openeye Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]piperidine-2-carboxamide CAS Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-2-piperidinecarboxamide IUPAC Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]piperidine-2-carboxamide Traditional Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[cyclopropyl-(4-nitrobenzyl)amino]pipecolinamide Formula: C24H35N5O4 MolecularWeight: 457.5658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1C(=O)NC2CCC(CC2)N)N(CC3=CC=C(C=C3)[N+](=O)[O-])C4CC4

Isomeric SMILES

CC(=O)N1CCC(C[C@@H]1C(=O)NC2CCC(CC2)N)N(CC3=CC=C(C=C3)[N+](=O)[O-])C4CC4

InChI

InChI=1S/C24H35N5O4/c1-16(30)27-13-12-22(14-23(27)24(31)26-19-6-4-18(25)5-7-19)28(20-10-11-20)15-17-2-8-21(9-3-17)29(32)33/h2-3,8-9,18-20,22-23H,4-7,10-15,25H2,1H3,(H,26,31)/t18?,19?,22?,23-/m1/s1