6-azanyl-8-(5-bromanyl-2-fluoranyl-phenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,5,7-tricarbonitrile

Systemtic Name: 6-azanyl-8-(5-bromanyl-2-fluoranyl-phenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,5,7-tricarbonitrile Openeye Name: 6-amino-8-(5-bromo-2-fluoro-phenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,5,7-tricarbonitrile CAS Name: 6-amino-8-(5-bromo-2-fluorophenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,5,7-tricarbonitrile IUPAC Name: 6-amino-8-(5-bromo-2-fluorophenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,5,7-tricarbonitrile Traditional Name: 6-amino-8-(5-bromo-2-fluoro-phenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,5,7-tricarbonitrile Formula: C18H13BrFN5 MolecularWeight: 398.231723

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C(CN1)C(C(=C(C2(C#N)C#N)N)C#N)C3=C(C=CC(=C3)Br)F

Isomeric SMILES

C1C=C2C(CN1)C(C(=C(C2(C#N)C#N)N)C#N)C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C18H13BrFN5/c19-10-1-2-15(20)11(5-10)16-12(6-21)17(24)18(8-22,9-23)14-3-4-25-7-13(14)16/h1-3,5,13,16,25H,4,7,24H2