2-azanyl-7,7-dimethyl-4-(4-methylphenyl)-5-oxidanylidene-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-7,7-dimethyl-4-(4-methylphenyl)-5-oxidanylidene-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-7,7-dimethyl-5-oxo-4-(p-tolyl)-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-7,7-dimethyl-4-(4-methylphenyl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-7,7-dimethyl-4-(4-methylphenyl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-5-keto-7,7-dimethyl-4-(p-tolyl)-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C21H22N6O MolecularWeight: 374.43898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=NC=NN4)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=NC=NN4)N)C#N

InChI

InChI=1S/C21H22N6O/c1-12-4-6-13(7-5-12)17-14(10-22)19(23)27(20-24-11-25-26-20)15-8-21(2,3)9-16(28)18(15)17/h4-7,11,17H,8-9,23H2,1-3H3,(H,24,25,26)