3-(1-cyano-2-methyl-propyl)-N-[4-methyl-3-[(3-methyl-4-oxidanylidene-quinazolin-6-yl)amino]phenyl]benzamide

Systemtic Name: 3-(1-cyano-2-methyl-propyl)-N-[4-methyl-3-[(3-methyl-4-oxidanylidene-quinazolin-6-yl)amino]phenyl]benzamide Openeye Name: 3-(1-cyano-2-methyl-propyl)-N-[4-methyl-3-[(3-methyl-4-oxo-quinazolin-6-yl)amino]phenyl]benzamide CAS Name: 3-(1-cyano-2-methylpropyl)-N-[4-methyl-3-[(3-methyl-4-oxo-6-quinazolinyl)amino]phenyl]benzamide IUPAC Name: 3-(1-cyano-2-methylpropyl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide Traditional Name: 3-(1-cyano-2-methyl-propyl)-N-[3-[(4-keto-3-methyl-quinazolin-6-yl)amino]-4-methyl-phenyl]benzamide Formula: C28H27N5O2 MolecularWeight: 465.54628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N5O2/c1-17(2)24(15-29)19-6-5-7-20(12-19)27(34)32-22-9-8-18(3)26(14-22)31-21-10-11-25-23(13-21)28(35)33(4)16-30-25/h5-14,16-17,24,31H,1-4H3,(H,32,34)