3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]carbonylpyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]carbonylpyrido[1,2-a]pyrimidin-4-one Openeye Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-oxomethyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one Formula: C22H22N4O6S MolecularWeight: 470.49828

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CN=C5C=CC=CN5C4=O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CN=C5C=CC=CN5C4=O)OC1

InChI

InChI=1S/C22H22N4O6S/c27-21(17-15-23-20-4-1-2-7-26(20)22(17)28)24-8-10-25(11-9-24)33(29,30)16-5-6-18-19(14-16)32-13-3-12-31-18/h1-2,4-7,14-15H,3,8-13H2