N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(methylamino)-3-nitro-benzamide

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(methylamino)-3-nitro-benzamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidyl]-4-(methylamino)-3-nitro-benzamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(methylamino)-3-nitrobenzamide Traditional Name: N-[1-(4-chlorobenzyl)-4-piperidyl]-4-(methylamino)-3-nitro-benzamide Formula: C20H23ClN4O3 MolecularWeight: 402.87462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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