N-[diethoxyphosphoryl(phenyl)methyl]-4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide

Systemtic Name: N-[diethoxyphosphoryl(phenyl)methyl]-4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide Openeye Name: N-[diethoxyphosphoryl(phenyl)methyl]-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide CAS Name: N-[diethoxyphosphoryl(phenyl)methyl]-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide IUPAC Name: N-[diethoxyphosphoryl(phenyl)methyl]-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide Traditional Name: N-[diethoxyphosphoryl(phenyl)methyl]-4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzamide Formula: C31H33N4O5P MolecularWeight: 572.591281

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)N(CC#C)CC3=CC4=C(C=C3)NC(=NC4=O)C)OCC

Isomeric SMILES

CCOP(=O)(C(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)N(CC#C)CC3=CC4=C(C=C3)NC(=NC4=O)C)OCC

InChI

InChI=1S/C31H33N4O5P/c1-5-19-35(21-23-13-18-28-27(20-23)30(37)33-22(4)32-28)26-16-14-24(15-17-26)29(36)34-31(25-11-9-8-10-12-25)41(38,39-6-2)40-7-3/h1,8-18,20,31H,6-7,19,21H2,2-4H3,(H,34,36)(H,32,33,37)