4-azanyl-1-[4-[(3-chloranyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]pent-1-yn-3-ol

Systemtic Name: 4-azanyl-1-[4-[(3-chloranyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]pent-1-yn-3-ol Openeye Name: 4-amino-1-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]pent-1-yn-3-ol CAS Name: 4-amino-1-[4-(3-chloro-4-phenoxyanilino)-6-quinazolinyl]-1-pentyn-3-ol IUPAC Name: 4-amino-1-[4-(3-chloro-4-phenoxyanilino)quinazolin-6-yl]pent-1-yn-3-ol Traditional Name: 4-amino-1-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]pent-1-yn-3-ol Formula: C25H21ClN4O2 MolecularWeight: 444.91284

Click to see the large picture

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)N

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClN4O2/c1-16(27)23(31)11-8-17-7-10-22-20(13-17)25(29-15-28-22)30-18-9-12-24(21(26)14-18)32-19-5-3-2-4-6-19/h2-7,9-10,12-16,23,31H,27H2,1H3,(H,28,29,30)