5-azanyl-3-methyl-6-phenyl-isoquinoline-8-carbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 5-azanyl-3-methyl-6-phenyl-isoquinoline-8-carbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 5-amino-3-methyl-6-phenyl-isoquinoline-8-carbonitrile; 2,2,2-trifluoroacetic acid CAS Name: 5-amino-3-methyl-6-phenyl-8-isoquinolinecarbonitrile; 2,2,2-trifluoroacetic acid IUPAC Name: 5-amino-3-methyl-6-phenylisoquinoline-8-carbonitrile; 2,2,2-trifluoroacetic acid Traditional Name: 5-amino-3-methyl-6-phenyl-isoquinoline-8-carbonitrile; 2,2,2-trifluoroacetic acid Formula: C19H14F3N3O2 MolecularWeight: 373.32857

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2C(=CC(=C(C2=C1)N)C3=CC=CC=C3)C#N.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=NC=C2C(=CC(=C(C2=C1)N)C3=CC=CC=C3)C#N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C17H13N3.C2HF3O2/c1-11-7-15-16(10-20-11)13(9-18)8-14(17(15)19)12-5-3-2-4-6-12;3-2(4,5)1(6)7/h2-8,10H,19H2,1H3;(H,6,7)