1-azanyl-3-phenyl-3-(trifluoromethyl)-4H-isoquinoline-6-carbonitrile hydrochloride

Systemtic Name: 1-azanyl-3-phenyl-3-(trifluoromethyl)-4H-isoquinoline-6-carbonitrile hydrochloride Openeye Name: 1-amino-3-phenyl-3-(trifluoromethyl)-4H-isoquinoline-6-carbonitrile hydrochloride CAS Name: 1-amino-3-phenyl-3-(trifluoromethyl)-4H-isoquinoline-6-carbonitrile hydrochloride IUPAC Name: 1-amino-3-phenyl-3-(trifluoromethyl)-4H-isoquinoline-6-carbonitrile hydrochloride Traditional Name: 1-amino-3-phenyl-3-(trifluoromethyl)-4H-isoquinoline-6-carbonitrile hydrochloride Formula: C17H13ClF3N3 MolecularWeight: 351.75343

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C#N)C(=NC1(C3=CC=CC=C3)C(F)(F)F)N.Cl

Isomeric SMILES

C1C2=C(C=CC(=C2)C#N)C(=NC1(C3=CC=CC=C3)C(F)(F)F)N.Cl

InChI

InChI=1S/C17H12F3N3.ClH/c18-17(19,20)16(13-4-2-1-3-5-13)9-12-8-11(10-21)6-7-14(12)15(22)23-16;/h1-8H,9H2,(H2,22,23);1H