4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

Systemtic Name: 4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide Openeye Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide CAS Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide IUPAC Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide Traditional Name: 4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]-N-[3-(trifluoromethyl)benzyl]benzamide Formula: C28H23F3N4O2 MolecularWeight: 504.50303

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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(=O)NCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C28H23F3N4O2/c1-3-13-35(17-20-7-12-25-24(15-20)27(37)34-18(2)33-25)23-10-8-21(9-11-23)26(36)32-16-19-5-4-6-22(14-19)28(29,30)31/h1,4-12,14-15H,13,16-17H2,2H3,(H,32,36)(H,33,34,37)