2-(3-chlorophenyl)-3-oxidanylidene-3-[1-(phenylmethyl)piperidin-4-yl]propanenitrile

Systemtic Name: 2-(3-chlorophenyl)-3-oxidanylidene-3-[1-(phenylmethyl)piperidin-4-yl]propanenitrile Openeye Name: 3-(1-benzyl-4-piperidyl)-2-(3-chlorophenyl)-3-oxo-propanenitrile CAS Name: 2-(3-chlorophenyl)-3-oxo-3-[1-(phenylmethyl)-4-piperidinyl]propanenitrile IUPAC Name: 3-(1-benzylpiperidin-4-yl)-2-(3-chlorophenyl)-3-oxopropanenitrile Traditional Name: 3-(1-benzyl-4-piperidyl)-2-(3-chlorophenyl)-3-keto-propionitrile Formula: C21H21ClN2O MolecularWeight: 352.85724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O/c22-19-8-4-7-18(13-19)20(14-23)21(25)17-9-11-24(12-10-17)15-16-5-2-1-3-6-16/h1-8,13,17,20H,9-12,15H2