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

Systemtic Name: 3-(hydroxymethyl)-4-[2-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]piperidin-4-ol Openeye Name: 3-(hydroxymethyl)-4-[2-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]piperidin-4-ol CAS Name: 3-(hydroxymethyl)-4-[2-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-4-piperidinol IUPAC Name: 3-(hydroxymethyl)-4-[2-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]ethynyl]piperidin-4-ol Traditional Name: 3-methylol-4-[2-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]piperidin-4-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(CCNCC4CO)O)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCNCC4CO)O)OC5=CC=CC=C5

InChI

InChI=1S/C29H28N4O3/c1-20-15-23(8-10-27(20)36-24-5-3-2-4-6-24)33-28-25-16-21(7-9-26(25)31-19-32-28)11-12-29(35)13-14-30-17-22(29)18-34/h2-10,15-16,19,22,30,34-35H,13-14,17-18H2,1H3,(H,31,32,33)