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

Systemtic Name: 3-(hydroxymethyl)-4-[2-[4-[(3-methoxy-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]piperidin-4-ol Openeye Name: 3-(hydroxymethyl)-4-[2-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]piperidin-4-ol CAS Name: 3-(hydroxymethyl)-4-[2-[4-(3-methoxy-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-4-piperidinol IUPAC Name: 3-(hydroxymethyl)-4-[2-[4-(3-methoxy-4-phenoxyanilino)quinazolin-6-yl]ethynyl]piperidin-4-ol Traditional Name: 4-[2-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]-3-methylol-piperidin-4-ol Formula: C29H28N4O4 MolecularWeight: 496.55702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCNCC4CO)O)OC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCNCC4CO)O)OC5=CC=CC=C5

InChI

InChI=1S/C29H28N4O4/c1-36-27-16-22(8-10-26(27)37-23-5-3-2-4-6-23)33-28-24-15-20(7-9-25(24)31-19-32-28)11-12-29(35)13-14-30-17-21(29)18-34/h2-10,15-16,19,21,30,34-35H,13-14,17-18H2,1H3,(H,31,32,33)