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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O5/c1-15-5-4-10-24(14-15)18-8-7-17(12-19(18)25(27)28)22(26)23-13-16-6-9-20(29-2)21(11-16)30-3/h6-9,11-12,15H,4-5,10,13-14H2,1-3H3,(H,23,26)