N-[4-(cyanomethyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide Openeye Name: N-[4-(cyanomethyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide CAS Name: N-[4-(cyanomethyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide Traditional Name: N-[4-(cyanomethyl)phenyl]-1-(3,4-dichlorobenzyl)isonipecotamide Formula: C21H21Cl2N3O MolecularWeight: 402.31694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)CC#N)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)CC#N)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H21Cl2N3O/c22-19-6-3-16(13-20(19)23)14-26-11-8-17(9-12-26)21(27)25-18-4-1-15(2-5-18)7-10-24/h1-6,13,17H,7-9,11-12,14H2,(H,25,27)