N-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: 4-(4-methylpiperidino)-3-nitro-N-veratryl-benzamide Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O5/c1-15-8-10-24(11-9-15)18-6-5-17(13-19(18)25(27)28)22(26)23-14-16-4-7-20(29-2)21(12-16)30-3/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,23,26)