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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)-3,5-dimethyl-1-pyrazolyl]-3-phenyl-1-propanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-3-phenyl-propan-1-one Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)CCC2=CC=CC=C2)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NN1C(=O)CCC2=CC=CC=C2)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H27N3O3S/c1-16-20(27(25,26)22-14-8-3-4-9-15-22)17(2)23(21-16)19(24)13-12-18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3