N-[(2R)-2-benzamidocyclohexyl]-1-(4-methyl-3-nitro-phenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2R)-2-benzamidocyclohexyl]-1-(4-methyl-3-nitro-phenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[(2R)-2-benzamidocyclohexyl]-1-(4-methyl-3-nitro-benzoyl)piperidine-4-carboxamide CAS Name: N-[(2R)-2-benzamidocyclohexyl]-1-[(4-methyl-3-nitrophenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[(2R)-2-benzamidocyclohexyl]-1-(4-methyl-3-nitrobenzoyl)piperidine-4-carboxamide Traditional Name: N-[(2R)-2-benzamidocyclohexyl]-1-(4-methyl-3-nitro-benzoyl)isonipecotamide Formula: C27H32N4O5 MolecularWeight: 492.56678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)NC3CCCCC3NC(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)NC3CCCC[C@H]3NC(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H32N4O5/c1-18-11-12-21(17-24(18)31(35)36)27(34)30-15-13-20(14-16-30)26(33)29-23-10-6-5-9-22(23)28-25(32)19-7-3-2-4-8-19/h2-4,7-8,11-12,17,20,22-23H,5-6,9-10,13-16H2,1H3,(H,28,32)(H,29,33)/t22-,23?/m1/s1