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

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

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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)O

Isomeric SMILES

C1CC(CNC1)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(21-5-4-16-29-18-21)15-9-20-8-14-26-25(17-20)28(31-19-30-26)32-22-10-12-24(13-11-22)34-23-6-2-1-3-7-23/h1-3,6-8,10-14,17,19,21,27,29,33H,4-5,16,18H2,(H,30,31,32)