3-(2-cyanopropan-2-yl)-2-fluoranyl-N-[4-methyl-3-[(3-methyl-4-oxidanylidene-quinazolin-6-yl)amino]phenyl]benzamide

Systemtic Name: 3-(2-cyanopropan-2-yl)-2-fluoranyl-N-[4-methyl-3-[(3-methyl-4-oxidanylidene-quinazolin-6-yl)amino]phenyl]benzamide Openeye Name: 3-(1-cyano-1-methyl-ethyl)-2-fluoro-N-[4-methyl-3-[(3-methyl-4-oxo-quinazolin-6-yl)amino]phenyl]benzamide CAS Name: 3-(2-cyanopropan-2-yl)-2-fluoro-N-[4-methyl-3-[(3-methyl-4-oxo-6-quinazolinyl)amino]phenyl]benzamide IUPAC Name: 3-(2-cyanopropan-2-yl)-2-fluoro-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide Traditional Name: 3-(1-cyano-1-methyl-ethyl)-2-fluoro-N-[3-[(4-keto-3-methyl-quinazolin-6-yl)amino]-4-methyl-phenyl]benzamide Formula: C27H24FN5O2 MolecularWeight: 469.510163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)C(C)(C)C#N)F)NC3=CC4=C(C=C3)N=CN(C4=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)C(C)(C)C#N)F)NC3=CC4=C(C=C3)N=CN(C4=O)C

InChI

InChI=1S/C27H24FN5O2/c1-16-8-9-18(32-25(34)19-6-5-7-21(24(19)28)27(2,3)14-29)13-23(16)31-17-10-11-22-20(12-17)26(35)33(4)15-30-22/h5-13,15,31H,1-4H3,(H,32,34)