N-[(2-ethoxypyridin-3-yl)methyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[(2-ethoxypyridin-3-yl)methyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[(2-ethoxy-3-pyridyl)methyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[(2-ethoxy-3-pyridinyl)methyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[(2-ethoxypyridin-3-yl)methyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[(2-ethoxy-3-pyridyl)methyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)CNC(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC=N1)CNC(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O4/c1-3-29-21-17(5-4-10-22-21)14-23-20(26)16-6-7-18(19(13-16)25(27)28)24-11-8-15(2)9-12-24/h4-7,10,13,15H,3,8-9,11-12,14H2,1-2H3,(H,23,26)