1-[(4-chlorophenyl)methyl]-N-(2-methyl-3-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(4-chlorophenyl)methyl]-N-(2-methyl-3-nitro-phenyl)piperidine-4-carboxamide Openeye Name: 1-[(4-chlorophenyl)methyl]-N-(2-methyl-3-nitro-phenyl)piperidine-4-carboxamide CAS Name: 1-[(4-chlorophenyl)methyl]-N-(2-methyl-3-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(4-chlorophenyl)methyl]-N-(2-methyl-3-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-(4-chlorobenzyl)-N-(2-methyl-3-nitro-phenyl)isonipecotamide Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2CCN(CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2CCN(CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN3O3/c1-14-18(3-2-4-19(14)24(26)27)22-20(25)16-9-11-23(12-10-16)13-15-5-7-17(21)8-6-15/h2-8,16H,9-13H2,1H3,(H,22,25)