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

Systemtic Name: 4,5-dimethoxy-2-nitro-N-[1-(phenylmethyl)piperidin-4-yl]benzamide Openeye Name: N-(1-benzyl-4-piperidyl)-4,5-dimethoxy-2-nitro-benzamide CAS Name: 4,5-dimethoxy-2-nitro-N-[1-(phenylmethyl)-4-piperidinyl]benzamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-(1-benzyl-4-piperidyl)-4,5-dimethoxy-2-nitro-benzamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H25N3O5/c1-28-19-12-17(18(24(26)27)13-20(19)29-2)21(25)22-16-8-10-23(11-9-16)14-15-6-4-3-5-7-15/h3-7,12-13,16H,8-11,14H2,1-2H3,(H,22,25)