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

Systemtic Name: 2-[[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[4-(2-chloro-6-fluoro-benzyl)piperazino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C22H24ClFN4O3 MolecularWeight: 446.902363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3CCN(CC3)CC4=C(C=CC=C4Cl)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3CCN(CC3)CC4=C(C=CC=C4Cl)F)OC

InChI

InChI=1S/C22H24ClFN4O3/c1-30-19-10-14-18(11-20(19)31-2)25-21(26-22(14)29)13-28-8-6-27(7-9-28)12-15-16(23)4-3-5-17(15)24/h3-5,10-11H,6-9,12-13H2,1-2H3,(H,25,26,29)