3-(4-chlorophenyl)-6,6-dimethyl-5-oxidanylidene-4-(1,2,4-triazol-1-yl)heptanenitrile

Systemtic Name: 3-(4-chlorophenyl)-6,6-dimethyl-5-oxidanylidene-4-(1,2,4-triazol-1-yl)heptanenitrile Openeye Name: 3-(4-chlorophenyl)-6,6-dimethyl-5-oxo-4-(1,2,4-triazol-1-yl)heptanenitrile CAS Name: 3-(4-chlorophenyl)-6,6-dimethyl-5-oxo-4-(1,2,4-triazol-1-yl)heptanenitrile IUPAC Name: 3-(4-chlorophenyl)-6,6-dimethyl-5-oxo-4-(1,2,4-triazol-1-yl)heptanenitrile Traditional Name: 3-(4-chlorophenyl)-5-keto-6,6-dimethyl-4-(1,2,4-triazol-1-yl)enanthonitrile Formula: C17H19ClN4O MolecularWeight: 330.81196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(C(CC#N)C1=CC=C(C=C1)Cl)N2C=NC=N2

Isomeric SMILES

CC(C)(C)C(=O)C(C(CC#N)C1=CC=C(C=C1)Cl)N2C=NC=N2

InChI

InChI=1S/C17H19ClN4O/c1-17(2,3)16(23)15(22-11-20-10-21-22)14(8-9-19)12-4-6-13(18)7-5-12/h4-7,10-11,14-15H,8H2,1-3H3