(8S)-6-azanyl-2-ethanoyl-8-[2-(trifluoromethyl)phenyl]-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

Systemtic Name: (8S)-6-azanyl-2-ethanoyl-8-[2-(trifluoromethyl)phenyl]-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: (8S)-2-acetyl-6-amino-8-[2-(trifluoromethyl)phenyl]-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: (8S)-2-acetyl-6-amino-8-[2-(trifluoromethyl)phenyl]-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: (8S)-2-acetyl-6-amino-8-[2-(trifluoromethyl)phenyl]-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: (8S)-2-acetyl-6-amino-8-[2-(trifluoromethyl)phenyl]-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C21H16F3N5O MolecularWeight: 411.37985

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC(=O)N1CC=C2C(C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H16F3N5O/c1-12(30)29-7-6-13-15(8-25)19(28)20(10-26,11-27)18(16(13)9-29)14-4-2-3-5-17(14)21(22,23)24/h2-6,16,18H,7,9,28H2,1H3/t16?,18-/m1/s1