3-phenyl-6-(2H-1,2,3,4-tetrazol-5-yl)-3-(trifluoromethyl)-4H-isoquinolin-1-amine

Systemtic Name: 3-phenyl-6-(2H-1,2,3,4-tetrazol-5-yl)-3-(trifluoromethyl)-4H-isoquinolin-1-amine Openeye Name: 3-phenyl-6-(2H-tetrazol-5-yl)-3-(trifluoromethyl)-4H-isoquinolin-1-amine CAS Name: 3-phenyl-6-(2H-tetrazol-5-yl)-3-(trifluoromethyl)-4H-isoquinolin-1-amine IUPAC Name: 3-phenyl-6-(2H-tetrazol-5-yl)-3-(trifluoromethyl)-4H-isoquinolin-1-amine Traditional Name: [3-phenyl-6-(2H-tetrazol-5-yl)-3-(trifluoromethyl)-4H-isoquinolin-1-yl]amine Formula: C17H13F3N6 MolecularWeight: 358.32053

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C3=NNN=N3)C(=NC1(C4=CC=CC=C4)C(F)(F)F)N

Isomeric SMILES

C1C2=C(C=CC(=C2)C3=NNN=N3)C(=NC1(C4=CC=CC=C4)C(F)(F)F)N

InChI

InChI=1S/C17H13F3N6/c18-17(19,20)16(12-4-2-1-3-5-12)9-11-8-10(15-23-25-26-24-15)6-7-13(11)14(21)22-16/h1-8H,9H2,(H2,21,22)(H,23,24,25,26)