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

Systemtic Name: 2-[3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]-1H-quinazolin-4-one Openeye Name: 2-[3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxo-propyl]-1H-quinazolin-4-one CAS Name: 2-[3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]-1H-quinazolin-4-one IUPAC Name: 2-[3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]-1H-quinazolin-4-one Traditional Name: 2-[3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-keto-propyl]-1H-quinazolin-4-one Formula: C22H23FN4O4S MolecularWeight: 458.505823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)CCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)CCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H23FN4O4S/c23-16-6-8-17(9-7-16)32(30,31)27-13-3-12-26(14-15-27)21(28)11-10-20-24-19-5-2-1-4-18(19)22(29)25-20/h1-2,4-9H,3,10-15H2,(H,24,25,29)