(E)-2-(4-chlorophenyl)-3-oxidanyl-3-[1-(phenylmethyl)piperidin-4-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(4-chlorophenyl)-3-oxidanyl-3-[1-(phenylmethyl)piperidin-4-yl]prop-2-enenitrile Openeye Name: (E)-3-(1-benzyl-4-piperidyl)-2-(4-chlorophenyl)-3-hydroxy-prop-2-enenitrile CAS Name: (E)-2-(4-chlorophenyl)-3-hydroxy-3-[1-(phenylmethyl)-4-piperidinyl]-2-propenenitrile IUPAC Name: (E)-3-(1-benzylpiperidin-4-yl)-2-(4-chlorophenyl)-3-hydroxyprop-2-enenitrile Traditional Name: (E)-3-(1-benzyl-4-piperidyl)-2-(4-chlorophenyl)-3-hydroxy-acrylonitrile Formula: C21H21ClN2O MolecularWeight: 352.85724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CCC1/C(=C(\C#N)/C2=CC=C(C=C2)Cl)/O)CC3=CC=CC=C3

InChI

InChI=1S/C21H21ClN2O/c22-19-8-6-17(7-9-19)20(14-23)21(25)18-10-12-24(13-11-18)15-16-4-2-1-3-5-16/h1-9,18,25H,10-13,15H2/b21-20-