6-azanyl-8-(2-fluoranyl-5-methoxy-phenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-8-(2-fluoranyl-5-methoxy-phenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: 6-amino-8-(2-fluoro-5-methoxy-phenyl)-2-isopropyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: 6-amino-8-(2-fluoro-5-methoxyphenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: 6-amino-8-(2-fluoro-5-methoxyphenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: 6-amino-8-(2-fluoro-5-methoxy-phenyl)-2-isopropyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C22H22FN5O MolecularWeight: 391.441383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FN5O/c1-13(2)28-7-6-15-17(9-24)21(27)22(11-25,12-26)20(18(15)10-28)16-8-14(29-3)4-5-19(16)23/h4-6,8,13,18,20H,7,10,27H2,1-3H3