[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-[1-(4-fluorophenyl)-5-methyl-4-pyrazolyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]methanone Formula: C21H28FN5O3S MolecularWeight: 449.542123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H28FN5O3S/c1-17-20(16-23-27(17)19-8-6-18(22)7-9-19)21(28)24-12-14-26(15-13-24)31(29,30)25-10-4-2-3-5-11-25/h6-9,16H,2-5,10-15H2,1H3