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

Systemtic Name: 3-[4-[(3-chloranyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]-1-piperidin-3-yl-prop-2-yn-1-ol Openeye Name: 3-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]-1-(3-piperidyl)prop-2-yn-1-ol CAS Name: 3-[4-(3-chloro-4-phenoxyanilino)-6-quinazolinyl]-1-(3-piperidinyl)-2-propyn-1-ol IUPAC Name: 3-[4-(3-chloro-4-phenoxyanilino)quinazolin-6-yl]-1-piperidin-3-ylprop-2-yn-1-ol Traditional Name: 3-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]-1-(3-piperidyl)prop-2-yn-1-ol Formula: C28H25ClN4O2 MolecularWeight: 484.9767

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl)O

Isomeric SMILES

C1CC(CNC1)C(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl)O

InChI

InChI=1S/C28H25ClN4O2/c29-24-16-21(10-13-27(24)35-22-6-2-1-3-7-22)33-28-23-15-19(8-11-25(23)31-18-32-28)9-12-26(34)20-5-4-14-30-17-20/h1-3,6-8,10-11,13,15-16,18,20,26,30,34H,4-5,14,17H2,(H,31,32,33)