(4Z)-5-methyl-2-phenyl-4-[[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylidene]pyrazol-3-one

Systemtic Name: (4Z)-5-methyl-2-phenyl-4-[[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylidene]pyrazol-3-one Openeye Name: (4Z)-5-methyl-2-phenyl-4-[[1-phenyl-3-[3-(1-piperidylsulfonyl)phenyl]pyrazol-4-yl]methylene]pyrazol-3-one CAS Name: (4Z)-5-methyl-2-phenyl-4-[[1-phenyl-3-[3-(1-piperidinylsulfonyl)phenyl]-4-pyrazolyl]methylidene]-3-pyrazolone IUPAC Name: (4Z)-5-methyl-2-phenyl-4-[[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylidene]pyrazol-3-one Traditional Name: (4Z)-5-methyl-2-phenyl-4-[[1-phenyl-3-(3-piperidinosulfonylphenyl)pyrazol-4-yl]methylene]-2-pyrazolin-3-one Formula: C31H29N5O3S MolecularWeight: 551.65866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CN(N=C2C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CN(N=C2C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H29N5O3S/c1-23-29(31(37)36(32-23)27-15-7-3-8-16-27)21-25-22-35(26-13-5-2-6-14-26)33-30(25)24-12-11-17-28(20-24)40(38,39)34-18-9-4-10-19-34/h2-3,5-8,11-17,20-22H,4,9-10,18-19H2,1H3/b29-21-