6-methyl-N1-[3-(trifluoromethyl)phenyl]isoquinoline-1,5-diamine

Systemtic Name: 6-methyl-N1-[3-(trifluoromethyl)phenyl]isoquinoline-1,5-diamine Openeye Name: 6-methyl-N1-[3-(trifluoromethyl)phenyl]isoquinoline-1,5-diamine CAS Name: 6-methyl-N1-[3-(trifluoromethyl)phenyl]isoquinoline-1,5-diamine IUPAC Name: 6-methyl-1-N-[3-(trifluoromethyl)phenyl]isoquinoline-1,5-diamine Traditional Name: (5-amino-6-methyl-1-isoquinolyl)-[3-(trifluoromethyl)phenyl]amine Formula: C17H14F3N3 MolecularWeight: 317.30837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CC=CC(=C3)C(F)(F)F)N

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CC=CC(=C3)C(F)(F)F)N

InChI

InChI=1S/C17H14F3N3/c1-10-5-6-14-13(15(10)21)7-8-22-16(14)23-12-4-2-3-11(9-12)17(18,19)20/h2-9H,21H2,1H3,(H,22,23)