3-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-fluoranyl-quinazolin-4-one

Systemtic Name: 3-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-fluoranyl-quinazolin-4-one Openeye Name: 3-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]-6-fluoro-quinazolin-4-one CAS Name: 3-[2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-2-oxoethyl]-6-fluoro-4-quinazolinone IUPAC Name: 3-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one Traditional Name: 3-[2-[4-(azepan-1-ylsulfonyl)piperazino]-2-keto-ethyl]-6-fluoro-quinazolin-4-one Formula: C20H26FN5O4S MolecularWeight: 451.514943

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)F

InChI

InChI=1S/C20H26FN5O4S/c21-16-5-6-18-17(13-16)20(28)24(15-22-18)14-19(27)23-9-11-26(12-10-23)31(29,30)25-7-3-1-2-4-8-25/h5-6,13,15H,1-4,7-12,14H2