2-(3,4-dichlorophenyl)-5-[4-(phenylmethyl)piperidin-1-yl]pentanenitrile

Systemtic Name: 2-(3,4-dichlorophenyl)-5-[4-(phenylmethyl)piperidin-1-yl]pentanenitrile Openeye Name: 5-(4-benzyl-1-piperidyl)-2-(3,4-dichlorophenyl)pentanenitrile CAS Name: 2-(3,4-dichlorophenyl)-5-[4-(phenylmethyl)-1-piperidinyl]pentanenitrile IUPAC Name: 5-(4-benzylpiperidin-1-yl)-2-(3,4-dichlorophenyl)pentanenitrile Traditional Name: 5-(4-benzylpiperidino)-2-(3,4-dichlorophenyl)valeronitrile Formula: C23H26Cl2N2 MolecularWeight: 401.37194

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCCC(C#N)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCCC(C#N)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C23H26Cl2N2/c24-22-9-8-20(16-23(22)25)21(17-26)7-4-12-27-13-10-19(11-14-27)15-18-5-2-1-3-6-18/h1-3,5-6,8-9,16,19,21H,4,7,10-15H2