4-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-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]-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]-N-[2-hydroxy-1-(3-nitrophenyl)ethyl]benzamide CAS Name: 4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-[2-hydroxy-1-(3-nitrophenyl)ethyl]benzamide IUPAC Name: 4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-[2-hydroxy-1-(3-nitrophenyl)ethyl]benzamide Traditional Name: N-[2-hydroxy-1-(3-nitrophenyl)ethyl]-4-[(4-keto-2,7-dimethyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzamide Formula: C29H27N5O5 MolecularWeight: 525.55518

Click to see the large picture

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-]

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-]

InChI

InChI=1S/C29H27N5O5/c1-4-12-33(16-22-15-25-26(13-18(22)2)30-19(3)31-29(25)37)23-10-8-20(9-11-23)28(36)32-27(17-35)21-6-5-7-24(14-21)34(38)39/h1,5-11,13-15,27,35H,12,16-17H2,2-3H3,(H,32,36)(H,30,31,37)