3-[4-[(3-chloranyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]-1-cyclobutyl-prop-2-yn-1-ol

Systemtic Name: 3-[4-[(3-chloranyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]-1-cyclobutyl-prop-2-yn-1-ol Openeye Name: 3-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]-1-cyclobutyl-prop-2-yn-1-ol CAS Name: 3-[4-(3-chloro-4-phenoxyanilino)-6-quinazolinyl]-1-cyclobutyl-2-propyn-1-ol IUPAC Name: 3-[4-(3-chloro-4-phenoxyanilino)quinazolin-6-yl]-1-cyclobutylprop-2-yn-1-ol Traditional Name: 3-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]-1-cyclobutyl-prop-2-yn-1-ol Formula: C27H22ClN3O2 MolecularWeight: 455.93548

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl)O

Isomeric SMILES

C1CC(C1)C(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl)O

InChI

InChI=1S/C27H22ClN3O2/c28-23-16-20(11-14-26(23)33-21-7-2-1-3-8-21)31-27-22-15-18(9-12-24(22)29-17-30-27)10-13-25(32)19-5-4-6-19/h1-3,7-9,11-12,14-17,19,25,32H,4-6H2,(H,29,30,31)