1-azanyl-3-phenyl-3-(trifluoromethyl)-4H-isoquinoline-6-carboxylic acid

Systemtic Name: 1-azanyl-3-phenyl-3-(trifluoromethyl)-4H-isoquinoline-6-carboxylic acid Openeye Name: 1-amino-3-phenyl-3-(trifluoromethyl)-4H-isoquinoline-6-carboxylic acid CAS Name: 1-amino-3-phenyl-3-(trifluoromethyl)-4H-isoquinoline-6-carboxylic acid IUPAC Name: 1-amino-3-phenyl-3-(trifluoromethyl)-4H-isoquinoline-6-carboxylic acid Traditional Name: 1-amino-3-phenyl-3-(trifluoromethyl)-4H-isoquinoline-6-carboxylic acid Formula: C17H13F3N2O2 MolecularWeight: 334.29253

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C(=O)O)C(=NC1(C3=CC=CC=C3)C(F)(F)F)N

Isomeric SMILES

C1C2=C(C=CC(=C2)C(=O)O)C(=NC1(C3=CC=CC=C3)C(F)(F)F)N

InChI

InChI=1S/C17H13F3N2O2/c18-17(19,20)16(12-4-2-1-3-5-12)9-11-8-10(15(23)24)6-7-13(11)14(21)22-16/h1-8H,9H2,(H2,21,22)(H,23,24)