6-azanyl-8-(4-fluorophenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,5,7-tricarbonitrile

Systemtic Name: 6-azanyl-8-(4-fluorophenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,5,7-tricarbonitrile Openeye Name: 6-amino-8-(4-fluorophenyl)-2-isopropyl-1,3,8,8a-tetrahydroisoquinoline-5,5,7-tricarbonitrile CAS Name: 6-amino-8-(4-fluorophenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,5,7-tricarbonitrile IUPAC Name: 6-amino-8-(4-fluorophenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,5,7-tricarbonitrile Traditional Name: 6-amino-8-(4-fluorophenyl)-2-isopropyl-1,3,8,8a-tetrahydroisoquinoline-5,5,7-tricarbonitrile Formula: C21H20FN5 MolecularWeight: 361.415403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC=C2C(C1)C(C(=C(C2(C#N)C#N)N)C#N)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)N1CC=C2C(C1)C(C(=C(C2(C#N)C#N)N)C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN5/c1-13(2)27-8-7-18-17(10-27)19(14-3-5-15(22)6-4-14)16(9-23)20(26)21(18,11-24)12-25/h3-7,13,17,19H,8,10,26H2,1-2H3