tert-butyl 2-fluoranyl-4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoate

Systemtic Name: tert-butyl 2-fluoranyl-4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoate Openeye Name: tert-butyl 2-fluoro-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoate CAS Name: 2-fluoro-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-fluoro-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoate Traditional Name: 2-fluoro-4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoic acid tert-butyl ester Formula: C24H24FN3O3 MolecularWeight: 421.464063

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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)OC(C)(C)C)F

Isomeric SMILES

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

InChI

InChI=1S/C24H24FN3O3/c1-6-11-28(14-16-7-10-21-19(12-16)22(29)27-15(2)26-21)17-8-9-18(20(25)13-17)23(30)31-24(3,4)5/h1,7-10,12-13H,11,14H2,2-5H3,(H,26,27,29)