2-azanyl-4-(3-bromophenyl)-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-(3-bromophenyl)-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-(3-bromophenyl)-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-(3-bromophenyl)-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-(3-bromophenyl)-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-(3-bromophenyl)-5-keto-7,7-dimethyl-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C20H19BrN6O MolecularWeight: 439.30846

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=NC=NN3)N)C#N)C4=CC(=CC=C4)Br)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=NC=NN3)N)C#N)C4=CC(=CC=C4)Br)C(=O)C1)C

InChI

InChI=1S/C20H19BrN6O/c1-20(2)7-14-17(15(28)8-20)16(11-4-3-5-12(21)6-11)13(9-22)18(23)27(14)19-24-10-25-26-19/h3-6,10,16H,7-8,23H2,1-2H3,(H,24,25,26)