[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

Systemtic Name: [3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Openeye Name: [3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone CAS Name: [3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone IUPAC Name: [3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Traditional Name: [3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-(4-mesyl-1,4-diazepan-1-yl)methanone Formula: C24H28N4O5S MolecularWeight: 484.56792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CCCN(CC3)S(=O)(=O)C)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CCCN(CC3)S(=O)(=O)C)C4=CC=CC=C4)OC

InChI

InChI=1S/C24H28N4O5S/c1-32-21-11-10-18(16-22(21)33-2)23-20(17-28(25-23)19-8-5-4-6-9-19)24(29)26-12-7-13-27(15-14-26)34(3,30)31/h4-6,8-11,16-17H,7,12-15H2,1-3H3