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

Systemtic Name: 3-[4-[(4-phenoxyphenyl)amino]quinazolin-6-yl]-1-piperidin-2-yl-prop-2-yn-1-ol Openeye Name: 3-[4-(4-phenoxyanilino)quinazolin-6-yl]-1-(2-piperidyl)prop-2-yn-1-ol CAS Name: 3-[4-(4-phenoxyanilino)-6-quinazolinyl]-1-(2-piperidinyl)-2-propyn-1-ol IUPAC Name: 3-[4-(4-phenoxyanilino)quinazolin-6-yl]-1-piperidin-2-ylprop-2-yn-1-ol Traditional Name: 3-[4-(4-phenoxyanilino)quinazolin-6-yl]-1-(2-piperidyl)prop-2-yn-1-ol Formula: C28H26N4O2 MolecularWeight: 450.53164

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C28H26N4O2/c33-27(26-8-4-5-17-29-26)16-10-20-9-15-25-24(18-20)28(31-19-30-25)32-21-11-13-23(14-12-21)34-22-6-2-1-3-7-22/h1-3,6-7,9,11-15,18-19,26-27,29,33H,4-5,8,17H2,(H,30,31,32)