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

Systemtic Name: 4-[[2-(dimethylaminomethyl)-7-methyl-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-2-fluoranyl-N-[(3-nitrophenyl)methyl]benzamide Openeye Name: 4-[[2-(dimethylaminomethyl)-7-methyl-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-2-fluoro-N-[(3-nitrophenyl)methyl]benzamide CAS Name: 4-[[2-(dimethylaminomethyl)-7-methyl-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]-2-fluoro-N-[(3-nitrophenyl)methyl]benzamide IUPAC Name: 4-[[2-(dimethylaminomethyl)-7-methyl-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]-2-fluoro-N-[(3-nitrophenyl)methyl]benzamide Traditional Name: 4-[[2-(dimethylaminomethyl)-4-keto-7-methyl-1H-quinazolin-6-yl]methyl-propargyl-amino]-2-fluoro-N-(3-nitrobenzyl)benzamide Formula: C30H29FN6O4 MolecularWeight: 556.587463

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H29FN6O4/c1-5-11-36(17-21-14-25-27(12-19(21)2)33-28(18-35(3)4)34-30(25)39)22-9-10-24(26(31)15-22)29(38)32-16-20-7-6-8-23(13-20)37(40)41/h1,6-10,12-15H,11,16-18H2,2-4H3,(H,32,38)(H,33,34,39)