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

Systemtic Name: 2-azanyl-4-(3-bromanyl-4-fluoranyl-phenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(3-bromo-4-fluoro-phenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(3-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(3-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(3-bromo-4-fluoro-phenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C16H13BrFN3 MolecularWeight: 346.196923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC(=C(C=C3)F)Br

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC(=C(C=C3)F)Br

InChI

InChI=1S/C16H13BrFN3/c17-12-7-9(5-6-13(12)18)15-10-3-1-2-4-14(10)21-16(20)11(15)8-19/h5-7H,1-4H2,(H2,20,21)