4-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]-3-nitro-benzamide Openeye Name: 4-[[4-[2-(3,5-dimethoxyphenyl)ethyl]-1-piperidyl]methyl]-3-nitro-benzamide CAS Name: 4-[[4-[2-(3,5-dimethoxyphenyl)ethyl]-1-piperidinyl]methyl]-3-nitrobenzamide IUPAC Name: 4-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]-3-nitrobenzamide Traditional Name: 4-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidino]methyl]-3-nitro-benzamide Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC2CCN(CC2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC2CCN(CC2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])OC

InChI

InChI=1S/C23H29N3O5/c1-30-20-11-17(12-21(14-20)31-2)4-3-16-7-9-25(10-8-16)15-19-6-5-18(23(24)27)13-22(19)26(28)29/h5-6,11-14,16H,3-4,7-10,15H2,1-2H3,(H2,24,27)