4-[[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazino]methyl]benzonitrile Formula: C17H22N6 MolecularWeight: 310.39678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)CN2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=NN=C(N1C)CN2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H22N6/c1-14-19-20-17(21(14)2)13-23-9-7-22(8-10-23)12-16-5-3-15(11-18)4-6-16/h3-6H,7-10,12-13H2,1-2H3