1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(4-mesylbenzyl)-1,4-diazepane Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCCN(CC3)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCCN(CC3)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C25H32N4O2S/c1-20-25(21(2)29(26-20)23-8-5-4-6-9-23)19-28-15-7-14-27(16-17-28)18-22-10-12-24(13-11-22)32(3,30)31/h4-6,8-13H,7,14-19H2,1-3H3