6-chloranyl-3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]quinazolin-4-one

Systemtic Name: 6-chloranyl-3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]quinazolin-4-one Openeye Name: 6-chloro-3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]quinazolin-4-one CAS Name: 6-chloro-3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]methyl]-4-quinazolinone IUPAC Name: 6-chloro-3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]quinazolin-4-one Traditional Name: 6-chloro-3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]methyl]quinazolin-4-one Formula: C22H23ClN4O5S MolecularWeight: 490.95982

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CN4C=NC5=C(C4=O)C=C(C=C5)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CN4C=NC5=C(C4=O)C=C(C=C5)Cl)OC1

InChI

InChI=1S/C22H23ClN4O5S/c23-16-2-4-19-18(12-16)22(28)26(14-24-19)15-25-6-8-27(9-7-25)33(29,30)17-3-5-20-21(13-17)32-11-1-10-31-20/h2-5,12-14H,1,6-11,15H2