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

Systemtic Name: 1-[4-[(4-bromanyl-2-fluoranyl-phenyl)amino]-6-methoxy-quinazolin-7-yl]oxy-3-(4-methylpiperazin-1-yl)propan-2-ol Openeye Name: 1-[4-(4-bromo-2-fluoro-anilino)-6-methoxy-quinazolin-7-yl]oxy-3-(4-methylpiperazin-1-yl)propan-2-ol CAS Name: 1-[[4-(4-bromo-2-fluoroanilino)-6-methoxy-7-quinazolinyl]oxy]-3-(4-methyl-1-piperazinyl)-2-propanol IUPAC Name: 1-[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxy-3-(4-methylpiperazin-1-yl)propan-2-ol Traditional Name: 1-[4-(4-bromo-2-fluoro-anilino)-6-methoxy-quinazolin-7-yl]oxy-3-(4-methylpiperazino)propan-2-ol Formula: C23H27BrFN5O3 MolecularWeight: 520.394583

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC)O

Isomeric SMILES

CN1CCN(CC1)CC(COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC)O

InChI

InChI=1S/C23H27BrFN5O3/c1-29-5-7-30(8-6-29)12-16(31)13-33-22-11-20-17(10-21(22)32-2)23(27-14-26-20)28-19-4-3-15(24)9-18(19)25/h3-4,9-11,14,16,31H,5-8,12-13H2,1-2H3,(H,26,27,28)