N-(4-ethylphenyl)-5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzamide

Systemtic Name: N-(4-ethylphenyl)-5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzamide Openeye Name: 2-(4-benzyl-1-piperidyl)-N-(4-ethylphenyl)-5-nitro-benzamide CAS Name: N-(4-ethylphenyl)-5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]benzamide IUPAC Name: 2-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)-5-nitrobenzamide Traditional Name: 2-(4-benzylpiperidino)-N-(4-ethylphenyl)-5-nitro-benzamide Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O3/c1-2-20-8-10-23(11-9-20)28-27(31)25-19-24(30(32)33)12-13-26(25)29-16-14-22(15-17-29)18-21-6-4-3-5-7-21/h3-13,19,22H,2,14-18H2,1H3,(H,28,31)