1-[3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-oxidanylidene-propyl]cinnolin-4-one

Systemtic Name: 1-[3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-oxidanylidene-propyl]cinnolin-4-one Openeye Name: 1-[3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-oxo-propyl]cinnolin-4-one CAS Name: 1-[3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-3-oxopropyl]-4-cinnolinone IUPAC Name: 1-[3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-oxopropyl]cinnolin-4-one Traditional Name: 1-[3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-3-keto-propyl]cinnolin-4-one Formula: C24H26N4O6S MolecularWeight: 498.55144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCN4C5=CC=CC=C5C(=O)C=N4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCN4C5=CC=CC=C5C(=O)C=N4)OC1

InChI

InChI=1S/C24H26N4O6S/c29-21-17-25-28(20-5-2-1-4-19(20)21)9-8-24(30)26-10-12-27(13-11-26)35(31,32)18-6-7-22-23(16-18)34-15-3-14-33-22/h1-2,4-7,16-17H,3,8-15H2