2-[[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]methyl]-7-(trifluoromethyl)-1H-quinazolin-4-one

Systemtic Name: 2-[[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]methyl]-7-(trifluoromethyl)-1H-quinazolin-4-one Openeye Name: 2-[[(4-allyloxyphenyl)methyl-methyl-amino]methyl]-7-(trifluoromethyl)-1H-quinazolin-4-one CAS Name: 2-[[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]methyl]-7-(trifluoromethyl)-1H-quinazolin-4-one IUPAC Name: 2-[[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]methyl]-7-(trifluoromethyl)-1H-quinazolin-4-one Traditional Name: 2-[[(4-allyloxybenzyl)-methyl-amino]methyl]-7-(trifluoromethyl)-1H-quinazolin-4-one Formula: C21H20F3N3O2 MolecularWeight: 403.39761

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)OCC=C)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(F)(F)F

Isomeric SMILES

CN(CC1=CC=C(C=C1)OCC=C)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O2/c1-3-10-29-16-7-4-14(5-8-16)12-27(2)13-19-25-18-11-15(21(22,23)24)6-9-17(18)20(28)26-19/h3-9,11H,1,10,12-13H2,2H3,(H,25,26,28)