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

Systemtic Name: 1-azanyl-3-(3-bromophenyl)-3-(trifluoromethyl)-4H-isoquinoline-6-carbonitrile Openeye Name: 1-amino-3-(3-bromophenyl)-3-(trifluoromethyl)-4H-isoquinoline-6-carbonitrile CAS Name: 1-amino-3-(3-bromophenyl)-3-(trifluoromethyl)-4H-isoquinoline-6-carbonitrile IUPAC Name: 1-amino-3-(3-bromophenyl)-3-(trifluoromethyl)-4H-isoquinoline-6-carbonitrile Traditional Name: 1-amino-3-(3-bromophenyl)-3-(trifluoromethyl)-4H-isoquinoline-6-carbonitrile Formula: C17H11BrF3N3 MolecularWeight: 394.18855

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11BrF3N3/c18-13-3-1-2-12(7-13)16(17(19,20)21)8-11-6-10(9-22)4-5-14(11)15(23)24-16/h1-7H,8H2,(H2,23,24)