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

Systemtic Name: 2-(dimethylamino)-5-nitro-N-[1-(phenylmethyl)piperidin-4-yl]benzamide Openeye Name: N-(1-benzyl-4-piperidyl)-2-(dimethylamino)-5-nitro-benzamide CAS Name: 2-(dimethylamino)-5-nitro-N-[1-(phenylmethyl)-4-piperidinyl]benzamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-(dimethylamino)-5-nitrobenzamide Traditional Name: N-(1-benzyl-4-piperidyl)-2-(dimethylamino)-5-nitro-benzamide Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c1-23(2)20-9-8-18(25(27)28)14-19(20)21(26)22-17-10-12-24(13-11-17)15-16-6-4-3-5-7-16/h3-9,14,17H,10-13,15H2,1-2H3,(H,22,26)