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

Systemtic Name: [3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Openeye Name: [3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone CAS Name: [3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone IUPAC Name: [3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Traditional Name: [3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]-(4-mesyl-1,4-diazepan-1-yl)methanone Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CCCN(CC3)S(=O)(=O)C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CCCN(CC3)S(=O)(=O)C)C4=CC=CC=C4)C

InChI

InChI=1S/C24H28N4O3S/c1-18-10-11-20(16-19(18)2)23-22(17-28(25-23)21-8-5-4-6-9-21)24(29)26-12-7-13-27(15-14-26)32(3,30)31/h4-6,8-11,16-17H,7,12-15H2,1-3H3