N-[4-(cyanomethyl)phenyl]-1-(phenylmethyl)piperidine-3-carboxamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-1-(phenylmethyl)piperidine-3-carboxamide Openeye Name: 1-benzyl-N-[4-(cyanomethyl)phenyl]piperidine-3-carboxamide CAS Name: N-[4-(cyanomethyl)phenyl]-1-(phenylmethyl)-3-piperidinecarboxamide IUPAC Name: 1-benzyl-N-[4-(cyanomethyl)phenyl]piperidine-3-carboxamide Traditional Name: 1-benzyl-N-[4-(cyanomethyl)phenyl]nipecotamide Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1CC(CN(C1)CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C21H23N3O/c22-13-12-17-8-10-20(11-9-17)23-21(25)19-7-4-14-24(16-19)15-18-5-2-1-3-6-18/h1-3,5-6,8-11,19H,4,7,12,14-16H2,(H,23,25)