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

Systemtic Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(2-ethyl-5-propan-2-yl-pyrazol-3-yl)methanone Openeye Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(2-ethyl-5-isopropyl-pyrazol-3-yl)methanone CAS Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-(2-ethyl-5-propan-2-yl-3-pyrazolyl)methanone IUPAC Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(2-ethyl-5-propan-2-ylpyrazol-3-yl)methanone Traditional Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-(2-ethyl-5-isopropyl-pyrazol-3-yl)methanone Formula: C22H30N4O5S MolecularWeight: 462.5624

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C(C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCN1C(=CC(=N1)C(C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H30N4O5S/c1-4-26-19(15-18(23-26)16(2)3)22(27)24-8-10-25(11-9-24)32(28,29)17-6-7-20-21(14-17)31-13-5-12-30-20/h6-7,14-16H,4-5,8-13H2,1-3H3