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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propan-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propan-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-propanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)piperazino]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propan-1-one Formula: C24H35N5O3S MolecularWeight: 473.6314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H35N5O3S/c1-20-23(21(2)29(25-20)22-10-6-5-7-11-22)12-13-24(30)26-16-18-28(19-17-26)33(31,32)27-14-8-3-4-9-15-27/h5-7,10-11H,3-4,8-9,12-19H2,1-2H3