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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(C1)C(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl)O

Isomeric SMILES

C1CCNC(C1)C(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl)O

InChI

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