(8S,8aS)-6-azanyl-8-[2,4-bis(fluoranyl)phenyl]-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile

Systemtic Name: (8S,8aS)-6-azanyl-8-[2,4-bis(fluoranyl)phenyl]-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Openeye Name: (8S,8aS)-6-amino-8-(2,4-difluorophenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile CAS Name: (8S,8aS)-6-amino-8-(2,4-difluorophenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile IUPAC Name: (8S,8aS)-6-amino-8-(2,4-difluorophenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Traditional Name: (8S,8aS)-6-amino-8-(2,4-difluorophenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Formula: C18H13F2N5 MolecularWeight: 337.326126

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C(CN1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C=C(C=C3)F)F

Isomeric SMILES

C1C=C2[C@@H](CN1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C18H13F2N5/c19-10-1-2-12(15(20)5-10)16-14-7-25-4-3-11(14)13(6-21)17(24)18(16,8-22)9-23/h1-3,5,14,16,25H,4,7,24H2/t14-,16+/m1/s1