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

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxidanylidene-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5-keto-7,7-dimethyl-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=NC=NN3)N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=NC=NN3)N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)C1)C

InChI

InChI=1S/C21H20N6O3/c1-21(2)6-13-18(14(28)7-21)17(11-3-4-15-16(5-11)30-10-29-15)12(8-22)19(23)27(13)20-24-9-25-26-20/h3-5,9,17H,6-7,10,23H2,1-2H3,(H,24,25,26)