3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-oxidanylidene-7-(1H-pyrazol-4-yl)quinazolin-3-yl]phenyl]benzamide

Systemtic Name: 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-oxidanylidene-7-(1H-pyrazol-4-yl)quinazolin-3-yl]phenyl]benzamide Openeye Name: 3-(1-cyano-1-methyl-ethyl)-N-[4-methyl-3-[4-oxo-7-(1H-pyrazol-4-yl)quinazolin-3-yl]phenyl]benzamide CAS Name: 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-oxo-7-(1H-pyrazol-4-yl)-3-quinazolinyl]phenyl]benzamide IUPAC Name: 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-oxo-7-(1H-pyrazol-4-yl)quinazolin-3-yl]phenyl]benzamide Traditional Name: 3-(1-cyano-1-methyl-ethyl)-N-[3-[4-keto-7-(1H-pyrazol-4-yl)quinazolin-3-yl]-4-methyl-phenyl]benzamide Formula: C29H24N6O2 MolecularWeight: 488.53986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)N3C=NC4=C(C3=O)C=CC(=C4)C5=CNN=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)N3C=NC4=C(C3=O)C=CC(=C4)C5=CNN=C5

InChI

InChI=1S/C29H24N6O2/c1-18-7-9-23(34-27(36)20-5-4-6-22(11-20)29(2,3)16-30)13-26(18)35-17-31-25-12-19(21-14-32-33-15-21)8-10-24(25)28(35)37/h4-15,17H,1-3H3,(H,32,33)(H,34,36)