4-[4-[(3-chloranyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]-2-methyl-but-3-yn-2-ol

Systemtic Name: 4-[4-[(3-chloranyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]-2-methyl-but-3-yn-2-ol Openeye Name: 4-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[4-(3-chloro-4-phenoxyanilino)-6-quinazolinyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[4-(3-chloro-4-phenoxyanilino)quinazolin-6-yl]-2-methylbut-3-yn-2-ol Traditional Name: 4-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]-2-methyl-but-3-yn-2-ol Formula: C25H20ClN3O2 MolecularWeight: 429.8982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OC4=CC=CC=C4)Cl)O

Isomeric SMILES

CC(C)(C#CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OC4=CC=CC=C4)Cl)O

InChI

InChI=1S/C25H20ClN3O2/c1-25(2,30)13-12-17-8-10-22-20(14-17)24(28-16-27-22)29-18-9-11-23(21(26)15-18)31-19-6-4-3-5-7-19/h3-11,14-16,30H,1-2H3,(H,27,28,29)