N-[[4-(dimethylaminomethyl)phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-[[4-(dimethylaminomethyl)phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-[[4-(dimethylaminomethyl)phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-[[4-(dimethylaminomethyl)phenyl]methyl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-[[4-(dimethylaminomethyl)phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-[4-(dimethylaminomethyl)benzyl]-1-(2-nitrophenyl)isonipecotamide Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O3/c1-24(2)16-18-9-7-17(8-10-18)15-23-22(27)19-11-13-25(14-12-19)20-5-3-4-6-21(20)26(28)29/h3-10,19H,11-16H2,1-2H3,(H,23,27)