1-azanyl-3-[3-(3-methoxyphenyl)phenyl]-3-(trifluoromethyl)-4H-isoquinoline-6-carbonitrile

Systemtic Name: 1-azanyl-3-[3-(3-methoxyphenyl)phenyl]-3-(trifluoromethyl)-4H-isoquinoline-6-carbonitrile Openeye Name: 1-amino-3-[3-(3-methoxyphenyl)phenyl]-3-(trifluoromethyl)-4H-isoquinoline-6-carbonitrile CAS Name: 1-amino-3-[3-(3-methoxyphenyl)phenyl]-3-(trifluoromethyl)-4H-isoquinoline-6-carbonitrile IUPAC Name: 1-amino-3-[3-(3-methoxyphenyl)phenyl]-3-(trifluoromethyl)-4H-isoquinoline-6-carbonitrile Traditional Name: 1-amino-3-[3-(3-methoxyphenyl)phenyl]-3-(trifluoromethyl)-4H-isoquinoline-6-carbonitrile Formula: C24H18F3N3O MolecularWeight: 421.41443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=CC=C2)C3(CC4=C(C=CC(=C4)C#N)C(=N3)N)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=CC=C2)C3(CC4=C(C=CC(=C4)C#N)C(=N3)N)C(F)(F)F

InChI

InChI=1S/C24H18F3N3O/c1-31-20-7-3-5-17(12-20)16-4-2-6-19(11-16)23(24(25,26)27)13-18-10-15(14-28)8-9-21(18)22(29)30-23/h2-12H,13H2,1H3,(H2,29,30)