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

Systemtic Name: 4-[[4-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(5-methyl-2-phenyl-triazole-4-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(5-methyl-2-phenyl-4-triazolyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(5-methyl-2-phenyl-triazole-4-carbonyl)piperazino]methyl]benzonitrile Formula: C22H22N6O MolecularWeight: 386.44968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C22H22N6O/c1-17-21(25-28(24-17)20-5-3-2-4-6-20)22(29)27-13-11-26(12-14-27)16-19-9-7-18(15-23)8-10-19/h2-10H,11-14,16H2,1H3