3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(4-methylsulfonyl-1,4-diazepan-1-yl)propan-1-one

Systemtic Name: 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(4-methylsulfonyl-1,4-diazepan-1-yl)propan-1-one Openeye Name: 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)propan-1-one CAS Name: 3-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-1-propanone IUPAC Name: 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(4-methylsulfonyl-1,4-diazepan-1-yl)propan-1-one Traditional Name: 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)-1-(4-mesyl-1,4-diazepan-1-yl)propan-1-one Formula: C18H32N4O3S MolecularWeight: 384.53668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CCC(=O)N2CCCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CCC(=O)N2CCCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C18H32N4O3S/c1-14(2)13-22-16(4)17(15(3)19-22)7-8-18(23)20-9-6-10-21(12-11-20)26(5,24)25/h14H,6-13H2,1-5H3