N-(2-ethyl-6-methyl-phenyl)-5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzamide Openeye Name: 2-(4-benzyl-1-piperidyl)-N-(2-ethyl-6-methyl-phenyl)-5-nitro-benzamide CAS Name: N-(2-ethyl-6-methylphenyl)-5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]benzamide IUPAC Name: 2-(4-benzylpiperidin-1-yl)-N-(2-ethyl-6-methylphenyl)-5-nitrobenzamide Traditional Name: 2-(4-benzylpiperidino)-N-(2-ethyl-6-methyl-phenyl)-5-nitro-benzamide Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C28H31N3O3/c1-3-23-11-7-8-20(2)27(23)29-28(32)25-19-24(31(33)34)12-13-26(25)30-16-14-22(15-17-30)18-21-9-5-4-6-10-21/h4-13,19,22H,3,14-18H2,1-2H3,(H,29,32)