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

Systemtic Name: N-[3-(3,4-dimethoxyphenyl)-1-methyl-piperidin-4-yl]-4-nitro-benzamide Openeye Name: N-[3-(3,4-dimethoxyphenyl)-1-methyl-4-piperidyl]-4-nitro-benzamide CAS Name: N-[3-(3,4-dimethoxyphenyl)-1-methyl-4-piperidinyl]-4-nitrobenzamide IUPAC Name: N-[3-(3,4-dimethoxyphenyl)-1-methylpiperidin-4-yl]-4-nitrobenzamide Traditional Name: N-[3-(3,4-dimethoxyphenyl)-1-methyl-4-piperidyl]-4-nitro-benzamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)C2=CC(=C(C=C2)OC)OC)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCC(C(C1)C2=CC(=C(C=C2)OC)OC)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5/c1-23-11-10-18(22-21(25)14-4-7-16(8-5-14)24(26)27)17(13-23)15-6-9-19(28-2)20(12-15)29-3/h4-9,12,17-18H,10-11,13H2,1-3H3,(H,22,25)