(4S)-5-methyl-2-(4-methylphenyl)-4-(pyridin-4-ylmethyliminomethyl)-4H-pyrazol-3-one

Systemtic Name: (4S)-5-methyl-2-(4-methylphenyl)-4-(pyridin-4-ylmethyliminomethyl)-4H-pyrazol-3-one Openeye Name: (4S)-5-methyl-2-(p-tolyl)-4-(4-pyridylmethyliminomethyl)-4H-pyrazol-3-one CAS Name: (4S)-5-methyl-2-(4-methylphenyl)-4-(pyridin-4-ylmethyliminomethyl)-4H-pyrazol-3-one IUPAC Name: (4S)-5-methyl-2-(4-methylphenyl)-4-(pyridin-4-ylmethyliminomethyl)-4H-pyrazol-3-one Traditional Name: (4S)-5-methyl-2-(p-tolyl)-4-(4-pyridylmethyliminomethyl)-2-pyrazolin-3-one Formula: C18H18N4O MolecularWeight: 306.36172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(C(=N2)C)C=NCC3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)[C@H](C(=N2)C)C=NCC3=CC=NC=C3

InChI

InChI=1S/C18H18N4O/c1-13-3-5-16(6-4-13)22-18(23)17(14(2)21-22)12-20-11-15-7-9-19-10-8-15/h3-10,12,17H,11H2,1-2H3/t17-/m0/s1