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

Systemtic Name: 3-[2-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 3-[2-[4-(5-chloro-2-fluoro-benzoyl)piperazin-1-yl]-2-oxo-ethyl]quinazolin-4-one CAS Name: 3-[2-[4-[(5-chloro-2-fluorophenyl)-oxomethyl]-1-piperazinyl]-2-oxoethyl]-4-quinazolinone IUPAC Name: 3-[2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one Traditional Name: 3-[2-[4-(5-chloro-2-fluoro-benzoyl)piperazino]-2-keto-ethyl]quinazolin-4-one Formula: C21H18ClFN4O3 MolecularWeight: 428.844023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C=NC3=CC=CC=C3C2=O)C(=O)C4=C(C=CC(=C4)Cl)F

Isomeric SMILES

C1CN(CCN1C(=O)CN2C=NC3=CC=CC=C3C2=O)C(=O)C4=C(C=CC(=C4)Cl)F

InChI

InChI=1S/C21H18ClFN4O3/c22-14-5-6-17(23)16(11-14)21(30)26-9-7-25(8-10-26)19(28)12-27-13-24-18-4-2-1-3-15(18)20(27)29/h1-6,11,13H,7-10,12H2