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

Systemtic Name: 4-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-fluoranyl-N-[1-(3-nitrophenyl)-2-oxidanyl-ethyl]benzamide Openeye Name: 4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-fluoro-N-[2-hydroxy-1-(3-nitrophenyl)ethyl]benzamide CAS Name: 4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluoro-N-[2-hydroxy-1-(3-nitrophenyl)ethyl]benzamide IUPAC Name: 4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluoro-N-[2-hydroxy-1-(3-nitrophenyl)ethyl]benzamide Traditional Name: 2-fluoro-N-[2-hydroxy-1-(3-nitrophenyl)ethyl]-4-[(4-keto-2,7-dimethyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzamide Formula: C29H26FN5O5 MolecularWeight: 543.545643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26FN5O5/c1-4-10-34(15-20-13-24-26(11-17(20)2)31-18(3)32-29(24)38)21-8-9-23(25(30)14-21)28(37)33-27(16-36)19-6-5-7-22(12-19)35(39)40/h1,5-9,11-14,27,36H,10,15-16H2,2-3H3,(H,33,37)(H,31,32,38)