[3-(2-methylphenyl)-1-phenyl-pyrazol-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

Systemtic Name: [3-(2-methylphenyl)-1-phenyl-pyrazol-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Openeye Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-[3-(o-tolyl)-1-phenyl-pyrazol-4-yl]methanone CAS Name: [3-(2-methylphenyl)-1-phenyl-4-pyrazolyl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone IUPAC Name: [3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Traditional Name: (4-mesyl-1,4-diazepan-1-yl)-[3-(o-tolyl)-1-phenyl-pyrazol-4-yl]methanone Formula: C23H26N4O3S MolecularWeight: 438.54254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C=C2C(=O)N3CCCN(CC3)S(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C=C2C(=O)N3CCCN(CC3)S(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S/c1-18-9-6-7-12-20(18)22-21(17-27(24-22)19-10-4-3-5-11-19)23(28)25-13-8-14-26(16-15-25)31(2,29)30/h3-7,9-12,17H,8,13-16H2,1-2H3