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

Systemtic Name: 4-[(7-bromanyl-2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-[1-(3-nitrophenyl)-2-oxidanyl-ethyl]benzamide Openeye Name: 4-[(7-bromo-2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-[2-hydroxy-1-(3-nitrophenyl)ethyl]benzamide CAS Name: 4-[(7-bromo-2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-[2-hydroxy-1-(3-nitrophenyl)ethyl]benzamide IUPAC Name: 4-[(7-bromo-2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-[2-hydroxy-1-(3-nitrophenyl)ethyl]benzamide Traditional Name: 4-[(7-bromo-4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]-N-[2-hydroxy-1-(3-nitrophenyl)ethyl]benzamide Formula: C28H24BrN5O5 MolecularWeight: 590.42466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=CC(=C(C=C2N1)Br)CN(CC#C)C3=CC=C(C=C3)C(=O)NC(CO)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=O)C2=CC(=C(C=C2N1)Br)CN(CC#C)C3=CC=C(C=C3)C(=O)NC(CO)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H24BrN5O5/c1-3-11-33(15-20-13-23-25(14-24(20)29)30-17(2)31-28(23)37)21-9-7-18(8-10-21)27(36)32-26(16-35)19-5-4-6-22(12-19)34(38)39/h1,4-10,12-14,26,35H,11,15-16H2,2H3,(H,32,36)(H,30,31,37)