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

Systemtic Name: 3-[4-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]-4-oxidanylidene-butyl]quinazolin-4-one Openeye Name: 3-[4-[4-(5-chloro-2-fluoro-benzoyl)piperazin-1-yl]-4-oxo-butyl]quinazolin-4-one CAS Name: 3-[4-[4-[(5-chloro-2-fluorophenyl)-oxomethyl]-1-piperazinyl]-4-oxobutyl]-4-quinazolinone IUPAC Name: 3-[4-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-4-oxobutyl]quinazolin-4-one Traditional Name: 3-[4-[4-(5-chloro-2-fluoro-benzoyl)piperazino]-4-keto-butyl]quinazolin-4-one Formula: C23H22ClFN4O3 MolecularWeight: 456.897183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCN2C=NC3=CC=CC=C3C2=O)C(=O)C4=C(C=CC(=C4)Cl)F

Isomeric SMILES

C1CN(CCN1C(=O)CCCN2C=NC3=CC=CC=C3C2=O)C(=O)C4=C(C=CC(=C4)Cl)F

InChI

InChI=1S/C23H22ClFN4O3/c24-16-7-8-19(25)18(14-16)23(32)28-12-10-27(11-13-28)21(30)6-3-9-29-15-26-20-5-2-1-4-17(20)22(29)31/h1-2,4-5,7-8,14-15H,3,6,9-13H2