(4S)-4-[(4-chlorophenyl)-[(4S)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one

Systemtic Name: (4S)-4-[(4-chlorophenyl)-[(4S)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one Openeye Name: (4S)-4-[(4-chlorophenyl)-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one CAS Name: (4S)-4-[(4-chlorophenyl)-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one IUPAC Name: (4S)-4-[(4-chlorophenyl)-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one Traditional Name: (4S)-4-[(4-chlorophenyl)-[(4S)-5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl]methyl]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C27H23ClN4O2 MolecularWeight: 470.95012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(C2C(=NN(C2=O)C3=CC=CC=C3)C)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=O)[C@H]1C([C@H]2C(=NN(C2=O)C3=CC=CC=C3)C)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H23ClN4O2/c1-17-23(26(33)31(29-17)21-9-5-3-6-10-21)25(19-13-15-20(28)16-14-19)24-18(2)30-32(27(24)34)22-11-7-4-8-12-22/h3-16,23-25H,1-2H3/t23-,24-/m1/s1