(4-bromanyl-2-ethyl-5-methyl-pyrazol-3-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-bromanyl-2-ethyl-5-methyl-pyrazol-3-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (4-bromo-2-ethyl-5-methyl-pyrazol-3-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (4-bromo-2-ethyl-5-methyl-3-pyrazolyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (4-bromo-2-ethyl-5-methylpyrazol-3-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (4-bromo-2-ethyl-5-methyl-pyrazol-3-yl)-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C20H27BrN4O3S MolecularWeight: 483.42238

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)Br)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)Br)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H27BrN4O3S/c1-4-25-19(18(21)15(2)22-25)20(26)24-11-5-10-23(12-13-24)14-16-6-8-17(9-7-16)29(3,27)28/h6-9H,4-5,10-14H2,1-3H3