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

Systemtic Name: N-[1-(4-fluorophenyl)-2-oxidanyl-ethyl]-4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide Openeye Name: N-[1-(4-fluorophenyl)-2-hydroxy-ethyl]-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide CAS Name: N-[1-(4-fluorophenyl)-2-hydroxyethyl]-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide IUPAC Name: N-[1-(4-fluorophenyl)-2-hydroxyethyl]-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide Traditional Name: N-[1-(4-fluorophenyl)-2-hydroxy-ethyl]-4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzamide Formula: C28H25FN4O3 MolecularWeight: 484.521503

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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)C4=CC=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C28H25FN4O3/c1-3-14-33(16-19-4-13-25-24(15-19)28(36)31-18(2)30-25)23-11-7-21(8-12-23)27(35)32-26(17-34)20-5-9-22(29)10-6-20/h1,4-13,15,26,34H,14,16-17H2,2H3,(H,32,35)(H,30,31,36)