N-(5-tert-butyl-2-methoxy-phenyl)-4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)benzamide

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)benzamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-4-(2-methyl-4-oxo-quinazolin-3-yl)benzamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-4-(2-methyl-4-oxo-3-quinazolinyl)benzamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide Traditional Name: N-(5-tert-butyl-2-methoxy-phenyl)-4-(4-keto-2-methyl-quinazolin-3-yl)benzamide Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)NC4=C(C=CC(=C4)C(C)(C)C)OC

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)NC4=C(C=CC(=C4)C(C)(C)C)OC

InChI

InChI=1S/C27H27N3O3/c1-17-28-22-9-7-6-8-21(22)26(32)30(17)20-13-10-18(11-14-20)25(31)29-23-16-19(27(2,3)4)12-15-24(23)33-5/h6-16H,1-5H3,(H,29,31)