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

Systemtic Name: 3-[2-[4-[(3-methoxy-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]pyrrolidin-3-ol Openeye Name: 3-[2-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]pyrrolidin-3-ol CAS Name: 3-[2-[4-(3-methoxy-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-3-pyrrolidinol IUPAC Name: 3-[2-[4-(3-methoxy-4-phenoxyanilino)quinazolin-6-yl]ethynyl]pyrrolidin-3-ol Traditional Name: 3-[2-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]pyrrolidin-3-ol Formula: C27H24N4O3 MolecularWeight: 452.50446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCNC4)O)OC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCNC4)O)OC5=CC=CC=C5

InChI

InChI=1S/C27H24N4O3/c1-33-25-16-20(8-10-24(25)34-21-5-3-2-4-6-21)31-26-22-15-19(7-9-23(22)29-18-30-26)11-12-27(32)13-14-28-17-27/h2-10,15-16,18,28,32H,13-14,17H2,1H3,(H,29,30,31)