1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propan-1-one

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propan-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propan-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]-1-propanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propan-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)piperazino]-3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propan-1-one Formula: C22H39N5O3S MolecularWeight: 453.64176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CCC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CCC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H39N5O3S/c1-18(2)17-27-20(4)21(19(3)23-27)9-10-22(28)24-13-15-26(16-14-24)31(29,30)25-11-7-5-6-8-12-25/h18H,5-17H2,1-4H3