1-[3-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]phenyl]ethanone hydrochloride

Systemtic Name: 1-[3-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]phenyl]ethanone hydrochloride Openeye Name: 1-[3-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]phenyl]ethanone hydrochloride CAS Name: 1-[3-[[2-(4-tert-butylphenyl)-4-quinazolinyl]amino]phenyl]ethanone hydrochloride IUPAC Name: 1-[3-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]phenyl]ethanone hydrochloride Traditional Name: 1-[3-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]phenyl]ethanone hydrochloride Formula: C26H26ClN3O MolecularWeight: 431.95714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C(C)(C)C.Cl

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C(C)(C)C.Cl

InChI

InChI=1S/C26H25N3O.ClH/c1-17(30)19-8-7-9-21(16-19)27-25-22-10-5-6-11-23(22)28-24(29-25)18-12-14-20(15-13-18)26(2,3)4;/h5-16H,1-4H3,(H,27,28,29);1H