3-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one

Systemtic Name: 3-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 3-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxo-ethyl]quinazolin-4-one CAS Name: 3-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-4-quinazolinone IUPAC Name: 3-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]quinazolin-4-one Traditional Name: 3-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-keto-ethyl]quinazolin-4-one Formula: C21H21FN4O4S MolecularWeight: 444.479243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)CN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)CN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H21FN4O4S/c22-16-6-8-17(9-7-16)31(29,30)26-11-3-10-24(12-13-26)20(27)14-25-15-23-19-5-2-1-4-18(19)21(25)28/h1-2,4-9,15H,3,10-14H2