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

Systemtic Name: 4-[[2-(dimethylaminomethyl)-7-methyl-4-oxidanylidene-1H-quinazolin-6-yl]methyl-methyl-amino]-2-fluoranyl-N-[(3-nitrophenyl)methyl]benzamide Openeye Name: 4-[[2-(dimethylaminomethyl)-7-methyl-4-oxo-1H-quinazolin-6-yl]methyl-methyl-amino]-2-fluoro-N-[(3-nitrophenyl)methyl]benzamide CAS Name: 4-[[2-(dimethylaminomethyl)-7-methyl-4-oxo-1H-quinazolin-6-yl]methyl-methylamino]-2-fluoro-N-[(3-nitrophenyl)methyl]benzamide IUPAC Name: 4-[[2-(dimethylaminomethyl)-7-methyl-4-oxo-1H-quinazolin-6-yl]methyl-methylamino]-2-fluoro-N-[(3-nitrophenyl)methyl]benzamide Traditional Name: 4-[[2-(dimethylaminomethyl)-4-keto-7-methyl-1H-quinazolin-6-yl]methyl-methyl-amino]-2-fluoro-N-(3-nitrobenzyl)benzamide Formula: C28H29FN6O4 MolecularWeight: 532.566063

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H29FN6O4/c1-17-10-25-23(28(37)32-26(31-25)16-33(2)3)12-19(17)15-34(4)20-8-9-22(24(29)13-20)27(36)30-14-18-6-5-7-21(11-18)35(38)39/h5-13H,14-16H2,1-4H3,(H,30,36)(H,31,32,37)