4-[3-azanyl-4-methyl-1-(trifluoromethyl)isoquinolin-7-yl]benzenecarbonitrile

Systemtic Name: 4-[3-azanyl-4-methyl-1-(trifluoromethyl)isoquinolin-7-yl]benzenecarbonitrile Openeye Name: 4-[3-amino-4-methyl-1-(trifluoromethyl)-7-isoquinolyl]benzonitrile CAS Name: 4-[3-amino-4-methyl-1-(trifluoromethyl)-7-isoquinolinyl]benzonitrile IUPAC Name: 4-[3-amino-4-methyl-1-(trifluoromethyl)isoquinolin-7-yl]benzonitrile Traditional Name: 4-[3-amino-4-methyl-1-(trifluoromethyl)-7-isoquinolyl]benzonitrile Formula: C18H12F3N3 MolecularWeight: 327.30319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C2=C1C=CC(=C2)C3=CC=C(C=C3)C#N)C(F)(F)F)N

Isomeric SMILES

CC1=C(N=C(C2=C1C=CC(=C2)C3=CC=C(C=C3)C#N)C(F)(F)F)N

InChI

InChI=1S/C18H12F3N3/c1-10-14-7-6-13(12-4-2-11(9-22)3-5-12)8-15(14)16(18(19,20)21)24-17(10)23/h2-8H,1H3,(H2,23,24)