2-fluoranyl-4-[[2-(hydroxymethyl)-7-methyl-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-N-[(3-nitrophenyl)methyl]benzamide

Systemtic Name: 2-fluoranyl-4-[[2-(hydroxymethyl)-7-methyl-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-N-[(3-nitrophenyl)methyl]benzamide Openeye Name: 2-fluoro-4-[[2-(hydroxymethyl)-7-methyl-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-N-[(3-nitrophenyl)methyl]benzamide CAS Name: 2-fluoro-4-[[2-(hydroxymethyl)-7-methyl-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]-N-[(3-nitrophenyl)methyl]benzamide IUPAC Name: 2-fluoro-4-[[2-(hydroxymethyl)-7-methyl-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]-N-[(3-nitrophenyl)methyl]benzamide Traditional Name: 2-fluoro-4-[(4-keto-7-methyl-2-methylol-1H-quinazolin-6-yl)methyl-propargyl-amino]-N-(3-nitrobenzyl)benzamide Formula: C28H24FN5O5 MolecularWeight: 529.519063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)NC(=NC2=O)CO)CN(CC#C)C3=CC(=C(C=C3)C(=O)NCC4=CC(=CC=C4)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C=C2C(=C1)NC(=NC2=O)CO)CN(CC#C)C3=CC(=C(C=C3)C(=O)NCC4=CC(=CC=C4)[N+](=O)[O-])F

InChI

InChI=1S/C28H24FN5O5/c1-3-9-33(15-19-12-23-25(10-17(19)2)31-26(16-35)32-28(23)37)20-7-8-22(24(29)13-20)27(36)30-14-18-5-4-6-21(11-18)34(38)39/h1,4-8,10-13,35H,9,14-16H2,2H3,(H,30,36)(H,31,32,37)