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

Systemtic Name: 3-[2-[4-[(3-chloranyl-4-phenoxy-phenyl)amino]-7-(2-methoxyethoxy)quinazolin-6-yl]ethynyl]piperidin-3-ol Openeye Name: 3-[2-[4-(3-chloro-4-phenoxy-anilino)-7-(2-methoxyethoxy)quinazolin-6-yl]ethynyl]piperidin-3-ol CAS Name: 3-[2-[4-(3-chloro-4-phenoxyanilino)-7-(2-methoxyethoxy)-6-quinazolinyl]ethynyl]-3-piperidinol IUPAC Name: 3-[2-[4-(3-chloro-4-phenoxyanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]ethynyl]piperidin-3-ol Traditional Name: 3-[2-[4-(3-chloro-4-phenoxy-anilino)-7-(2-methoxyethoxy)quinazolin-6-yl]ethynyl]piperidin-3-ol Formula: C30H29ClN4O4 MolecularWeight: 545.02866

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC2=C(C=C1C#CC3(CCCNC3)O)C(=NC=N2)NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl

Isomeric SMILES

COCCOC1=CC2=C(C=C1C#CC3(CCCNC3)O)C(=NC=N2)NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl

InChI

InChI=1S/C30H29ClN4O4/c1-37-14-15-38-28-18-26-24(16-21(28)10-12-30(36)11-5-13-32-19-30)29(34-20-33-26)35-22-8-9-27(25(31)17-22)39-23-6-3-2-4-7-23/h2-4,6-9,16-18,20,32,36H,5,11,13-15,19H2,1H3,(H,33,34,35)