6-azanyl-8-(2-fluorophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; propan-1-ol

Systemtic Name: 6-azanyl-8-(2-fluorophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; propan-1-ol Openeye Name: 6-amino-8-(2-fluorophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; propan-1-ol CAS Name: 6-amino-8-(2-fluorophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; 1-propanol IUPAC Name: 6-amino-8-(2-fluorophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; propan-1-ol Traditional Name: 6-amino-8-(2-fluorophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; propan-1-ol Formula: C22H24FN5O MolecularWeight: 393.457263

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Descriptors Computed from Structure

Canonical SMILES:

CCCO.CN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3F

Isomeric SMILES

CCCO.CN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3F

InChI

InChI=1S/C19H16FN5.C3H8O/c1-25-7-6-12-14(8-21)18(24)19(10-22,11-23)17(15(12)9-25)13-4-2-3-5-16(13)20;1-2-3-4/h2-6,15,17H,7,9,24H2,1H3;4H,2-3H2,1H3