4-[(2-chlorophenyl)methyl]-5-methyl-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]-1H-pyrazol-3-one

Systemtic Name: 4-[(2-chlorophenyl)methyl]-5-methyl-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]-1H-pyrazol-3-one Openeye Name: 4-[(2-chlorophenyl)methyl]-5-methyl-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]-1H-pyrazol-3-one CAS Name: 4-[(2-chlorophenyl)methyl]-5-methyl-2-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]-1H-pyrazol-3-one IUPAC Name: 4-[(2-chlorophenyl)methyl]-5-methyl-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]-1H-pyrazol-3-one Traditional Name: 4-(2-chlorobenzyl)-5-methyl-2-[5-(4-methylpiperazino)sulfonyl-2-pyridyl]-3-pyrazolin-3-one Formula: C21H24ClN5O3S MolecularWeight: 461.96496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C)CC4=CC=CC=C4Cl

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C)CC4=CC=CC=C4Cl

InChI

InChI=1S/C21H24ClN5O3S/c1-15-18(13-16-5-3-4-6-19(16)22)21(28)27(24-15)20-8-7-17(14-23-20)31(29,30)26-11-9-25(2)10-12-26/h3-8,14,24H,9-13H2,1-2H3