6-azanyl-8-(5-bromanyl-2-fluoranyl-phenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,5,7-tricarbonitrile

Systemtic Name: 6-azanyl-8-(5-bromanyl-2-fluoranyl-phenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,5,7-tricarbonitrile Openeye Name: 6-amino-8-(5-bromo-2-fluoro-phenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,5,7-tricarbonitrile CAS Name: 6-amino-8-(5-bromo-2-fluorophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,5,7-tricarbonitrile IUPAC Name: 6-amino-8-(5-bromo-2-fluorophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,5,7-tricarbonitrile Traditional Name: 6-amino-8-(5-bromo-2-fluoro-phenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,5,7-tricarbonitrile Formula: C20H17BrFN5 MolecularWeight: 426.284883

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC=C2C(C1)C(C(=C(C2(C#N)C#N)N)C#N)C3=C(C=CC(=C3)Br)F

Isomeric SMILES

CCN1CC=C2C(C1)C(C(=C(C2(C#N)C#N)N)C#N)C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C20H17BrFN5/c1-2-27-6-5-16-15(9-27)18(13-7-12(21)3-4-17(13)22)14(8-23)19(26)20(16,10-24)11-25/h3-5,7,15,18H,2,6,9,26H2,1H3