N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(methylamino)-5-nitro-benzamide

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(methylamino)-5-nitro-benzamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidyl]-2-(methylamino)-5-nitro-benzamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]-2-(methylamino)-5-nitrobenzamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(methylamino)-5-nitrobenzamide Traditional Name: N-[1-(4-chlorobenzyl)-4-piperidyl]-2-(methylamino)-5-nitro-benzamide Formula: C20H23ClN4O3 MolecularWeight: 402.87462

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2CCN(CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2CCN(CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H23ClN4O3/c1-22-19-7-6-17(25(27)28)12-18(19)20(26)23-16-8-10-24(11-9-16)13-14-2-4-15(21)5-3-14/h2-7,12,16,22H,8-11,13H2,1H3,(H,23,26)