2-azanyl-1-(4-bromanyl-2-fluoranyl-phenyl)-5-oxidanylidene-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-(4-bromanyl-2-fluoranyl-phenyl)-5-oxidanylidene-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(4-bromo-2-fluoro-phenyl)-5-oxo-4-(3-pyridyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(4-bromo-2-fluorophenyl)-5-oxo-4-(3-pyridinyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(4-bromo-2-fluorophenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(4-bromo-2-fluoro-phenyl)-5-keto-4-(3-pyridyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H16BrFN4O MolecularWeight: 439.280343

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2C3=C(C=C(C=C3)Br)F)N)C#N)C4=CN=CC=C4)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(N2C3=C(C=C(C=C3)Br)F)N)C#N)C4=CN=CC=C4)C(=O)C1

InChI

InChI=1S/C21H16BrFN4O/c22-13-6-7-16(15(23)9-13)27-17-4-1-5-18(28)20(17)19(14(10-24)21(27)25)12-3-2-8-26-11-12/h2-3,6-9,11,19H,1,4-5,25H2