4-[[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methyl]-3-nitro-benzamide Openeye Name: 3-nitro-4-[[4-[2-(p-tolyl)ethyl]-1-piperidyl]methyl]benzamide CAS Name: 4-[[4-[2-(4-methylphenyl)ethyl]-1-piperidinyl]methyl]-3-nitrobenzamide IUPAC Name: 4-[[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methyl]-3-nitrobenzamide Traditional Name: 3-nitro-4-[[4-[2-(p-tolyl)ethyl]piperidino]methyl]benzamide Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC2CCN(CC2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CCC2CCN(CC2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O3/c1-16-2-4-17(5-3-16)6-7-18-10-12-24(13-11-18)15-20-9-8-19(22(23)26)14-21(20)25(27)28/h2-5,8-9,14,18H,6-7,10-13,15H2,1H3,(H2,23,26)