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

Systemtic Name: 2-[1-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[1-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[1-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[1-[4-(2-chloro-6-fluoro-benzyl)piperazino]ethyl]-1H-quinazolin-4-one Formula: C21H22ClFN4O MolecularWeight: 400.876983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)N3CCN(CC3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)N3CCN(CC3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H22ClFN4O/c1-14(20-24-19-8-3-2-5-15(19)21(28)25-20)27-11-9-26(10-12-27)13-16-17(22)6-4-7-18(16)23/h2-8,14H,9-13H2,1H3,(H,24,25,28)