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

Systemtic Name: 2-[2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-[2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-[2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-4-keto-quinazolin-3-yl]acetamide Formula: C22H24FN5O4S MolecularWeight: 473.520463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

InChI

InChI=1S/C22H24FN5O4S/c23-16-6-8-17(9-7-16)33(31,32)27-11-3-10-26(12-13-27)15-21-25-19-5-2-1-4-18(19)22(30)28(21)14-20(24)29/h1-2,4-9H,3,10-15H2,(H2,24,29)