3-[2-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-6-fluoranyl-quinazolin-4-one

Systemtic Name: 3-[2-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-6-fluoranyl-quinazolin-4-one Openeye Name: 3-[2-[4-(5-chloro-2-fluoro-benzoyl)piperazin-1-yl]-2-oxo-ethyl]-6-fluoro-quinazolin-4-one CAS Name: 3-[2-[4-[(5-chloro-2-fluorophenyl)-oxomethyl]-1-piperazinyl]-2-oxoethyl]-6-fluoro-4-quinazolinone IUPAC Name: 3-[2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one Traditional Name: 3-[2-[4-(5-chloro-2-fluoro-benzoyl)piperazino]-2-keto-ethyl]-6-fluoro-quinazolin-4-one Formula: C21H17ClF2N4O3 MolecularWeight: 446.834486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)F)C(=O)C4=C(C=CC(=C4)Cl)F

Isomeric SMILES

C1CN(CCN1C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)F)C(=O)C4=C(C=CC(=C4)Cl)F

InChI

InChI=1S/C21H17ClF2N4O3/c22-13-1-3-17(24)15(9-13)20(30)27-7-5-26(6-8-27)19(29)11-28-12-25-18-4-2-14(23)10-16(18)21(28)31/h1-4,9-10,12H,5-8,11H2