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

Systemtic Name: 2-fluoranyl-4-[[2-(hydroxymethyl)-7-methyl-4-oxidanylidene-1H-quinazolin-6-yl]methyl-methyl-amino]-N-[(3-nitrophenyl)methyl]benzamide Openeye Name: 2-fluoro-4-[[2-(hydroxymethyl)-7-methyl-4-oxo-1H-quinazolin-6-yl]methyl-methyl-amino]-N-[(3-nitrophenyl)methyl]benzamide CAS Name: 2-fluoro-4-[[2-(hydroxymethyl)-7-methyl-4-oxo-1H-quinazolin-6-yl]methyl-methylamino]-N-[(3-nitrophenyl)methyl]benzamide IUPAC Name: 2-fluoro-4-[[2-(hydroxymethyl)-7-methyl-4-oxo-1H-quinazolin-6-yl]methyl-methylamino]-N-[(3-nitrophenyl)methyl]benzamide Traditional Name: 2-fluoro-4-[(4-keto-7-methyl-2-methylol-1H-quinazolin-6-yl)methyl-methyl-amino]-N-(3-nitrobenzyl)benzamide Formula: C26H24FN5O5 MolecularWeight: 505.497663

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H24FN5O5/c1-15-8-23-21(26(35)30-24(14-33)29-23)10-17(15)13-31(2)18-6-7-20(22(27)11-18)25(34)28-12-16-4-3-5-19(9-16)32(36)37/h3-11,33H,12-14H2,1-2H3,(H,28,34)(H,29,30,35)