3-[2-[7-methoxy-4-[(3-methoxy-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol

Systemtic Name: 3-[2-[7-methoxy-4-[(3-methoxy-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Openeye Name: 3-[2-[7-methoxy-4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]piperidin-3-ol CAS Name: 3-[2-[7-methoxy-4-(3-methoxy-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-3-piperidinol IUPAC Name: 3-[2-[7-methoxy-4-(3-methoxy-4-phenoxyanilino)quinazolin-6-yl]ethynyl]piperidin-3-ol Traditional Name: 3-[2-[7-methoxy-4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]piperidin-3-ol Formula: C29H28N4O4 MolecularWeight: 496.55702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1C#CC3(CCCNC3)O)C(=NC=N2)NC4=CC(=C(C=C4)OC5=CC=CC=C5)OC

Isomeric SMILES

COC1=CC2=C(C=C1C#CC3(CCCNC3)O)C(=NC=N2)NC4=CC(=C(C=C4)OC5=CC=CC=C5)OC

InChI

InChI=1S/C29H28N4O4/c1-35-26-17-24-23(15-20(26)11-13-29(34)12-6-14-30-18-29)28(32-19-31-24)33-21-9-10-25(27(16-21)36-2)37-22-7-4-3-5-8-22/h3-5,7-10,15-17,19,30,34H,6,12,14,18H2,1-2H3,(H,31,32,33)