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

Systemtic Name: 3-[2-[4-[(3-chloranyl-4-phenoxy-phenyl)amino]-7-methoxy-quinazolin-6-yl]ethynyl]piperidin-3-ol Openeye Name: 3-[2-[4-(3-chloro-4-phenoxy-anilino)-7-methoxy-quinazolin-6-yl]ethynyl]piperidin-3-ol CAS Name: 3-[2-[4-(3-chloro-4-phenoxyanilino)-7-methoxy-6-quinazolinyl]ethynyl]-3-piperidinol IUPAC Name: 3-[2-[4-(3-chloro-4-phenoxyanilino)-7-methoxyquinazolin-6-yl]ethynyl]piperidin-3-ol Traditional Name: 3-[2-[4-(3-chloro-4-phenoxy-anilino)-7-methoxy-quinazolin-6-yl]ethynyl]piperidin-3-ol Formula: C28H25ClN4O3 MolecularWeight: 500.9761

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H25ClN4O3/c1-35-26-16-24-22(14-19(26)10-12-28(34)11-5-13-30-17-28)27(32-18-31-24)33-20-8-9-25(23(29)15-20)36-21-6-3-2-4-7-21/h2-4,6-9,14-16,18,30,34H,5,11,13,17H2,1H3,(H,31,32,33)