N-[1,3-bis(oxidanyl)-1-phenyl-propan-2-yl]-4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide

Systemtic Name: N-[1,3-bis(oxidanyl)-1-phenyl-propan-2-yl]-4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide Openeye Name: N-[2-hydroxy-1-(hydroxymethyl)-2-phenyl-ethyl]-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide CAS Name: N-(1,3-dihydroxy-1-phenylpropan-2-yl)-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide IUPAC Name: N-(1,3-dihydroxy-1-phenylpropan-2-yl)-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide Traditional Name: N-(2-hydroxy-1-methylol-2-phenyl-ethyl)-4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzamide Formula: C29H28N4O4 MolecularWeight: 496.55702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NC(CO)C(C4=CC=CC=C4)O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NC(CO)C(C4=CC=CC=C4)O

InChI

InChI=1S/C29H28N4O4/c1-3-15-33(17-20-9-14-25-24(16-20)29(37)31-19(2)30-25)23-12-10-22(11-13-23)28(36)32-26(18-34)27(35)21-7-5-4-6-8-21/h1,4-14,16,26-27,34-35H,15,17-18H2,2H3,(H,32,36)(H,30,31,37)