3-[[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]amino]propanenitrile

Systemtic Name: 3-[[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]amino]propanenitrile Openeye Name: 3-[[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]-8-quinolyl]amino]propanenitrile CAS Name: 3-[[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]-8-quinolinyl]amino]propanenitrile IUPAC Name: 3-[[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]amino]propanenitrile Traditional Name: 3-[[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]-8-quinolyl]amino]propionitrile Formula: C21H18F3N3O2 MolecularWeight: 401.38173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C(C2=NC=C1)NCCC#N)OC)OC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=C2C(=C(C=C(C2=NC=C1)NCCC#N)OC)OC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H18F3N3O2/c1-13-7-10-27-19-16(26-9-4-8-25)12-17(28-2)20(18(13)19)29-15-6-3-5-14(11-15)21(22,23)24/h3,5-7,10-12,26H,4,9H2,1-2H3