(4S)-2-(4-chlorophenyl)-5-methyl-4-[(phenylmethyl)iminomethyl]-4H-pyrazol-3-one

Systemtic Name: (4S)-2-(4-chlorophenyl)-5-methyl-4-[(phenylmethyl)iminomethyl]-4H-pyrazol-3-one Openeye Name: (4S)-4-(benzyliminomethyl)-2-(4-chlorophenyl)-5-methyl-4H-pyrazol-3-one CAS Name: (4S)-2-(4-chlorophenyl)-5-methyl-4-[(phenylmethyl)iminomethyl]-4H-pyrazol-3-one IUPAC Name: (4S)-4-(benzyliminomethyl)-2-(4-chlorophenyl)-5-methyl-4H-pyrazol-3-one Traditional Name: (4S)-4-(benzyliminomethyl)-2-(4-chlorophenyl)-5-methyl-2-pyrazolin-3-one Formula: C18H16ClN3O MolecularWeight: 325.79214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C=NCC2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NN(C(=O)[C@H]1C=NCC2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN3O/c1-13-17(12-20-11-14-5-3-2-4-6-14)18(23)22(21-13)16-9-7-15(19)8-10-16/h2-10,12,17H,11H2,1H3/t17-/m0/s1