1-azanyl-3-(3-bromophenyl)-3-(trifluoromethyl)-4H-isoquinoline-6-carboxamide

Systemtic Name: 1-azanyl-3-(3-bromophenyl)-3-(trifluoromethyl)-4H-isoquinoline-6-carboxamide Openeye Name: 1-amino-3-(3-bromophenyl)-3-(trifluoromethyl)-4H-isoquinoline-6-carboxamide CAS Name: 1-amino-3-(3-bromophenyl)-3-(trifluoromethyl)-4H-isoquinoline-6-carboxamide IUPAC Name: 1-amino-3-(3-bromophenyl)-3-(trifluoromethyl)-4H-isoquinoline-6-carboxamide Traditional Name: 1-amino-3-(3-bromophenyl)-3-(trifluoromethyl)-4H-isoquinoline-6-carboxamide Formula: C17H13BrF3N3O MolecularWeight: 412.20383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrF3N3O/c18-12-3-1-2-11(7-12)16(17(19,20)21)8-10-6-9(15(23)25)4-5-13(10)14(22)24-16/h1-7H,8H2,(H2,22,24)(H2,23,25)