N-(2,3-dimethylcyclohexyl)-3-nitro-4-[4-(phenylmethyl)piperidin-1-yl]benzamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-3-nitro-4-[4-(phenylmethyl)piperidin-1-yl]benzamide Openeye Name: 4-(4-benzyl-1-piperidyl)-N-(2,3-dimethylcyclohexyl)-3-nitro-benzamide CAS Name: N-(2,3-dimethylcyclohexyl)-3-nitro-4-[4-(phenylmethyl)-1-piperidinyl]benzamide IUPAC Name: 4-(4-benzylpiperidin-1-yl)-N-(2,3-dimethylcyclohexyl)-3-nitrobenzamide Traditional Name: 4-(4-benzylpiperidino)-N-(2,3-dimethylcyclohexyl)-3-nitro-benzamide Formula: C27H35N3O3 MolecularWeight: 449.5851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=CC(=C(C=C2)N3CCC(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C2=CC(=C(C=C2)N3CCC(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H35N3O3/c1-19-7-6-10-24(20(19)2)28-27(31)23-11-12-25(26(18-23)30(32)33)29-15-13-22(14-16-29)17-21-8-4-3-5-9-21/h3-5,8-9,11-12,18-20,22,24H,6-7,10,13-17H2,1-2H3,(H,28,31)