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

Systemtic Name: 2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1H-quinazolin-4-one Formula: C20H21FN4O3S MolecularWeight: 416.469143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H21FN4O3S/c21-15-6-8-16(9-7-15)29(27,28)25-11-3-10-24(12-13-25)14-19-22-18-5-2-1-4-17(18)20(26)23-19/h1-2,4-9H,3,10-14H2,(H,22,23,26)