4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-(trifluoromethyl)benzonitrile CAS Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-(trifluoromethyl)benzonitrile Traditional Name: 4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]-2-(trifluoromethyl)benzonitrile Formula: C21H15F3N4O MolecularWeight: 396.36521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC(=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC(=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C21H15F3N4O/c1-3-8-28(16-6-5-15(11-25)18(10-16)21(22,23)24)12-14-4-7-19-17(9-14)20(29)27-13(2)26-19/h1,4-7,9-10H,8,12H2,2H3,(H,26,27,29)