N-[(2,4-dimethylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-[(2,4-dimethylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-[(2,4-dimethylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-[(2,4-dimethylphenyl)methyl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-[(2,4-dimethylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-(2,4-dimethylbenzyl)-1-(2-nitrophenyl)isonipecotamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c1-15-7-8-18(16(2)13-15)14-22-21(25)17-9-11-23(12-10-17)19-5-3-4-6-20(19)24(26)27/h3-8,13,17H,9-12,14H2,1-2H3,(H,22,25)