4-[(4-chlorophenyl)-phenyl-methyl]-N-[4-(cyanomethyl)phenyl]piperazine-1-carboxamide

Systemtic Name: 4-[(4-chlorophenyl)-phenyl-methyl]-N-[4-(cyanomethyl)phenyl]piperazine-1-carboxamide Openeye Name: 4-[(4-chlorophenyl)-phenyl-methyl]-N-[4-(cyanomethyl)phenyl]piperazine-1-carboxamide CAS Name: 4-[(4-chlorophenyl)-phenylmethyl]-N-[4-(cyanomethyl)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-[(4-chlorophenyl)-phenylmethyl]-N-[4-(cyanomethyl)phenyl]piperazine-1-carboxamide Traditional Name: 4-[(4-chlorophenyl)-phenyl-methyl]-N-[4-(cyanomethyl)phenyl]piperazine-1-carboxamide Formula: C26H25ClN4O MolecularWeight: 444.9559

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)NC4=CC=C(C=C4)CC#N

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)NC4=CC=C(C=C4)CC#N

InChI

InChI=1S/C26H25ClN4O/c27-23-10-8-22(9-11-23)25(21-4-2-1-3-5-21)30-16-18-31(19-17-30)26(32)29-24-12-6-20(7-13-24)14-15-28/h1-13,25H,14,16-19H2,(H,29,32)