N-[[(4-fluorophenyl)-prop-2-ynyl-amino]methyl]-2,2-dimethyl-N-(4-oxidanylidene-1H-quinazolin-2-yl)propanamide

Systemtic Name: N-[[(4-fluorophenyl)-prop-2-ynyl-amino]methyl]-2,2-dimethyl-N-(4-oxidanylidene-1H-quinazolin-2-yl)propanamide Openeye Name: N-[(4-fluoro-N-prop-2-ynyl-anilino)methyl]-2,2-dimethyl-N-(4-oxo-1H-quinazolin-2-yl)propanamide CAS Name: N-[(4-fluoro-N-prop-2-ynylanilino)methyl]-2,2-dimethyl-N-(4-oxo-1H-quinazolin-2-yl)propanamide IUPAC Name: N-[(4-fluoro-N-prop-2-ynylanilino)methyl]-2,2-dimethyl-N-(4-oxo-1H-quinazolin-2-yl)propanamide Traditional Name: N-[(4-fluoro-N-propargyl-anilino)methyl]-N-(4-keto-1H-quinazolin-2-yl)-2,2-dimethyl-propionamide Formula: C23H23FN4O2 MolecularWeight: 406.452723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N(CN(CC#C)C1=CC=C(C=C1)F)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC(C)(C)C(=O)N(CN(CC#C)C1=CC=C(C=C1)F)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C23H23FN4O2/c1-5-14-27(17-12-10-16(24)11-13-17)15-28(21(30)23(2,3)4)22-25-19-9-7-6-8-18(19)20(29)26-22/h1,6-13H,14-15H2,2-4H3,(H,25,26,29)