5-methoxy-3,5-dimethyl-1-[4-[(4-phenoxyphenyl)amino]quinazolin-6-yl]hex-1-yn-3-ol

Systemtic Name: 5-methoxy-3,5-dimethyl-1-[4-[(4-phenoxyphenyl)amino]quinazolin-6-yl]hex-1-yn-3-ol Openeye Name: 5-methoxy-3,5-dimethyl-1-[4-(4-phenoxyanilino)quinazolin-6-yl]hex-1-yn-3-ol CAS Name: 5-methoxy-3,5-dimethyl-1-[4-(4-phenoxyanilino)-6-quinazolinyl]-1-hexyn-3-ol IUPAC Name: 5-methoxy-3,5-dimethyl-1-[4-(4-phenoxyanilino)quinazolin-6-yl]hex-1-yn-3-ol Traditional Name: 5-methoxy-3,5-dimethyl-1-[4-(4-phenoxyanilino)quinazolin-6-yl]hex-1-yn-3-ol Formula: C29H29N3O3 MolecularWeight: 467.55886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29N3O3/c1-28(2,34-4)19-29(3,33)17-16-21-10-15-26-25(18-21)27(31-20-30-26)32-22-11-13-24(14-12-22)35-23-8-6-5-7-9-23/h5-15,18,20,33H,19H2,1-4H3,(H,30,31,32)