3-[2-[4-[[4-(4-methoxyphenoxy)-3-methyl-phenyl]amino]quinazolin-6-yl]ethynyl]piperidin-3-ol

Systemtic Name: 3-[2-[4-[[4-(4-methoxyphenoxy)-3-methyl-phenyl]amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Openeye Name: 3-[2-[4-[4-(4-methoxyphenoxy)-3-methyl-anilino]quinazolin-6-yl]ethynyl]piperidin-3-ol CAS Name: 3-[2-[4-[4-(4-methoxyphenoxy)-3-methylanilino]-6-quinazolinyl]ethynyl]-3-piperidinol IUPAC Name: 3-[2-[4-[4-(4-methoxyphenoxy)-3-methylanilino]quinazolin-6-yl]ethynyl]piperidin-3-ol Traditional Name: 3-[2-[4-[4-(4-methoxyphenoxy)-3-methyl-anilino]quinazolin-6-yl]ethynyl]piperidin-3-ol Formula: C29H28N4O3 MolecularWeight: 480.55762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCCNC4)O)OC5=CC=C(C=C5)OC

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCCNC4)O)OC5=CC=C(C=C5)OC

InChI

InChI=1S/C29H28N4O3/c1-20-16-22(5-11-27(20)36-24-8-6-23(35-2)7-9-24)33-28-25-17-21(4-10-26(25)31-19-32-28)12-14-29(34)13-3-15-30-18-29/h4-11,16-17,19,30,34H,3,13,15,18H2,1-2H3,(H,31,32,33)