2-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[(2-chloro-6-fluoro-phenyl)methyl-cyclopropyl-amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[(2-chloro-6-fluoro-benzyl)-cyclopropyl-amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C21H21ClFN3O3 MolecularWeight: 417.861143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN(CC3=C(C=CC=C3Cl)F)C4CC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN(CC3=C(C=CC=C3Cl)F)C4CC4)OC

InChI

InChI=1S/C21H21ClFN3O3/c1-28-18-8-13-17(9-19(18)29-2)24-20(25-21(13)27)11-26(12-6-7-12)10-14-15(22)4-3-5-16(14)23/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,24,25,27)