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

Systemtic Name: tert-butyl 2-fluoranyl-4-[methyl-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl]amino]benzoate Openeye Name: tert-butyl 2-fluoro-4-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]benzoate CAS Name: 2-fluoro-4-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-fluoro-4-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]benzoate Traditional Name: 2-fluoro-4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-methyl-amino]benzoic acid tert-butyl ester Formula: C22H24FN3O3 MolecularWeight: 397.442663

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H24FN3O3/c1-13-24-19-9-6-14(10-17(19)20(27)25-13)12-26(5)15-7-8-16(18(23)11-15)21(28)29-22(2,3)4/h6-11H,12H2,1-5H3,(H,24,25,27)