N-[6-[[(4-fluorophenyl)-prop-2-ynyl-amino]methyl]-4-oxidanylidene-1H-quinazolin-2-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[6-[[(4-fluorophenyl)-prop-2-ynyl-amino]methyl]-4-oxidanylidene-1H-quinazolin-2-yl]-2,2-dimethyl-propanamide Openeye Name: N-[6-[(4-fluoro-N-prop-2-ynyl-anilino)methyl]-4-oxo-1H-quinazolin-2-yl]-2,2-dimethyl-propanamide CAS Name: N-[6-[(4-fluoro-N-prop-2-ynylanilino)methyl]-4-oxo-1H-quinazolin-2-yl]-2,2-dimethylpropanamide IUPAC Name: N-[6-[(4-fluoro-N-prop-2-ynylanilino)methyl]-4-oxo-1H-quinazolin-2-yl]-2,2-dimethylpropanamide Traditional Name: N-[6-[(4-fluoro-N-propargyl-anilino)methyl]-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)NC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C(=O)NC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)F

InChI

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