N-[5-[[3-(2-cyanopropan-2-yl)phenyl]carbonylamino]-2-methyl-phenyl]-4-oxidanylidene-1H-quinazoline-6-carboxamide

Systemtic Name: N-[5-[[3-(2-cyanopropan-2-yl)phenyl]carbonylamino]-2-methyl-phenyl]-4-oxidanylidene-1H-quinazoline-6-carboxamide Openeye Name: N-[5-[[3-(1-cyano-1-methyl-ethyl)benzoyl]amino]-2-methyl-phenyl]-4-oxo-1H-quinazoline-6-carboxamide CAS Name: N-[5-[[[3-(2-cyanopropan-2-yl)phenyl]-oxomethyl]amino]-2-methylphenyl]-4-oxo-1H-quinazoline-6-carboxamide IUPAC Name: N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-4-oxo-1H-quinazoline-6-carboxamide Traditional Name: N-[5-[[3-(1-cyano-1-methyl-ethyl)benzoyl]amino]-2-methyl-phenyl]-4-keto-1H-quinazoline-6-carboxamide Formula: C27H23N5O3 MolecularWeight: 465.50322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC(=O)C3=CC4=C(C=C3)NC=NC4=O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC(=O)C3=CC4=C(C=C3)NC=NC4=O

InChI

InChI=1S/C27H23N5O3/c1-16-7-9-20(31-24(33)17-5-4-6-19(11-17)27(2,3)14-28)13-23(16)32-25(34)18-8-10-22-21(12-18)26(35)30-15-29-22/h4-13,15H,1-3H3,(H,31,33)(H,32,34)(H,29,30,35)