5-methyl-2-[5-[4-(phenylmethyl)piperidin-1-yl]sulfonylpyridin-2-yl]-4-(pyridin-3-ylmethyl)-1H-pyrazol-3-one

Systemtic Name: 5-methyl-2-[5-[4-(phenylmethyl)piperidin-1-yl]sulfonylpyridin-2-yl]-4-(pyridin-3-ylmethyl)-1H-pyrazol-3-one Openeye Name: 2-[5-[(4-benzyl-1-piperidyl)sulfonyl]-2-pyridyl]-5-methyl-4-(3-pyridylmethyl)-1H-pyrazol-3-one CAS Name: 5-methyl-2-[5-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]-2-pyridinyl]-4-(3-pyridinylmethyl)-1H-pyrazol-3-one IUPAC Name: 2-[5-(4-benzylpiperidin-1-yl)sulfonylpyridin-2-yl]-5-methyl-4-(pyridin-3-ylmethyl)-1H-pyrazol-3-one Traditional Name: 2-[5-(4-benzylpiperidino)sulfonyl-2-pyridyl]-5-methyl-4-(3-pyridylmethyl)-3-pyrazolin-3-one Formula: C27H29N5O3S MolecularWeight: 503.61586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=NC=C(C=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4)CC5=CN=CC=C5

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC=C(C=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4)CC5=CN=CC=C5

InChI

InChI=1S/C27H29N5O3S/c1-20-25(17-23-8-5-13-28-18-23)27(33)32(30-20)26-10-9-24(19-29-26)36(34,35)31-14-11-22(12-15-31)16-21-6-3-2-4-7-21/h2-10,13,18-19,22,30H,11-12,14-17H2,1H3