2-azanyl-4-(3-bromophenyl)-5-oxidanylidene-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-bromophenyl)-5-oxidanylidene-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(3-bromophenyl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(3-bromophenyl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(3-bromophenyl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(3-bromophenyl)-5-keto-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C18H15BrN6O MolecularWeight: 411.2553

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2C3=NC=NN3)N)C#N)C4=CC(=CC=C4)Br)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(N2C3=NC=NN3)N)C#N)C4=CC(=CC=C4)Br)C(=O)C1

InChI

InChI=1S/C18H15BrN6O/c19-11-4-1-3-10(7-11)15-12(8-20)17(21)25(18-22-9-23-24-18)13-5-2-6-14(26)16(13)15/h1,3-4,7,9,15H,2,5-6,21H2,(H,22,23,24)