[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone

Systemtic Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone Openeye Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone CAS Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-(5-phenyl-1H-pyrazol-4-yl)methanone IUPAC Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone Traditional Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-(5-phenyl-1H-pyrazol-4-yl)methanone Formula: C23H24N4O5S MolecularWeight: 468.52546

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=C(NN=C4)C5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=C(NN=C4)C5=CC=CC=C5)OC1

InChI

InChI=1S/C23H24N4O5S/c28-23(19-16-24-25-22(19)17-5-2-1-3-6-17)26-9-11-27(12-10-26)33(29,30)18-7-8-20-21(15-18)32-14-4-13-31-20/h1-3,5-8,15-16H,4,9-14H2,(H,24,25)