N-[(3-cyanophenyl)methyl]-4-[(7-fluoranyl-2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide

Systemtic Name: N-[(3-cyanophenyl)methyl]-4-[(7-fluoranyl-2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide Openeye Name: N-[(3-cyanophenyl)methyl]-4-[(7-fluoro-2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide CAS Name: N-[(3-cyanophenyl)methyl]-4-[(7-fluoro-2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide IUPAC Name: N-[(3-cyanophenyl)methyl]-4-[(7-fluoro-2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide Traditional Name: N-(3-cyanobenzyl)-4-[(7-fluoro-4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzamide Formula: C28H22FN5O2 MolecularWeight: 479.504983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=CC(=C(C=C2N1)F)CN(CC#C)C3=CC=C(C=C3)C(=O)NCC4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=NC(=O)C2=CC(=C(C=C2N1)F)CN(CC#C)C3=CC=C(C=C3)C(=O)NCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C28H22FN5O2/c1-3-11-34(17-22-13-24-26(14-25(22)29)32-18(2)33-28(24)36)23-9-7-21(8-10-23)27(35)31-16-20-6-4-5-19(12-20)15-30/h1,4-10,12-14H,11,16-17H2,2H3,(H,31,35)(H,32,33,36)