1-[4-[(4-bromanyl-2-fluoranyl-phenyl)amino]-6-methoxy-quinazolin-7-yl]oxy-3-(2,5-dihydropyrrol-1-yl)propan-2-ol

Systemtic Name: 1-[4-[(4-bromanyl-2-fluoranyl-phenyl)amino]-6-methoxy-quinazolin-7-yl]oxy-3-(2,5-dihydropyrrol-1-yl)propan-2-ol Openeye Name: 1-[4-(4-bromo-2-fluoro-anilino)-6-methoxy-quinazolin-7-yl]oxy-3-(2,5-dihydropyrrol-1-yl)propan-2-ol CAS Name: 1-[[4-(4-bromo-2-fluoroanilino)-6-methoxy-7-quinazolinyl]oxy]-3-(2,5-dihydropyrrol-1-yl)-2-propanol IUPAC Name: 1-[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxy-3-(2,5-dihydropyrrol-1-yl)propan-2-ol Traditional Name: 1-[4-(4-bromo-2-fluoro-anilino)-6-methoxy-quinazolin-7-yl]oxy-3-(3-pyrrolin-1-yl)propan-2-ol Formula: C22H22BrFN4O3 MolecularWeight: 489.337483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Br)F)OCC(CN4CC=CC4)O

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Br)F)OCC(CN4CC=CC4)O

InChI

InChI=1S/C22H22BrFN4O3/c1-30-20-9-16-19(10-21(20)31-12-15(29)11-28-6-2-3-7-28)25-13-26-22(16)27-18-5-4-14(23)8-17(18)24/h2-5,8-10,13,15,29H,6-7,11-12H2,1H3,(H,25,26,27)