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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC(=C3)OC)F

Isomeric SMILES

CCCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC(=C3)OC)F

InChI

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