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

Systemtic Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone Openeye Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone CAS Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-[4-(1-pyrazolyl)phenyl]methanone IUPAC Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone Traditional Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-(4-pyrazol-1-ylphenyl)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=CC=C(C=C4)N5C=CC=N5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC=C(C=C4)N5C=CC=N5)OC1

InChI

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