2-(4-chlorophenyl)-5-[4-(phenylmethyl)piperidin-1-yl]-1,2,3-triazole-4-carbonitrile

Systemtic Name: 2-(4-chlorophenyl)-5-[4-(phenylmethyl)piperidin-1-yl]-1,2,3-triazole-4-carbonitrile Openeye Name: 5-(4-benzyl-1-piperidyl)-2-(4-chlorophenyl)triazole-4-carbonitrile CAS Name: 2-(4-chlorophenyl)-5-[4-(phenylmethyl)-1-piperidinyl]-4-triazolecarbonitrile IUPAC Name: 5-(4-benzylpiperidin-1-yl)-2-(4-chlorophenyl)triazole-4-carbonitrile Traditional Name: 5-(4-benzylpiperidino)-2-(4-chlorophenyl)triazole-4-carbonitrile Formula: C21H20ClN5 MolecularWeight: 377.87

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=NN(N=C3C#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=NN(N=C3C#N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClN5/c22-18-6-8-19(9-7-18)27-24-20(15-23)21(25-27)26-12-10-17(11-13-26)14-16-4-2-1-3-5-16/h1-9,17H,10-14H2