(4S)-5-methyl-4-[[(4-methylphenyl)amino]methyl]-2-phenyl-4H-pyrazol-3-one

Systemtic Name: (4S)-5-methyl-4-[[(4-methylphenyl)amino]methyl]-2-phenyl-4H-pyrazol-3-one Openeye Name: (4S)-5-methyl-4-[(4-methylanilino)methyl]-2-phenyl-4H-pyrazol-3-one CAS Name: (4S)-5-methyl-4-[(4-methylanilino)methyl]-2-phenyl-4H-pyrazol-3-one IUPAC Name: (4S)-5-methyl-4-[(4-methylanilino)methyl]-2-phenyl-4H-pyrazol-3-one Traditional Name: (4S)-5-methyl-2-phenyl-4-(p-toluidinomethyl)-2-pyrazolin-3-one Formula: C18H19N3O MolecularWeight: 293.36296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC2C(=NN(C2=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC[C@H]2C(=NN(C2=O)C3=CC=CC=C3)C

InChI

InChI=1S/C18H19N3O/c1-13-8-10-15(11-9-13)19-12-17-14(2)20-21(18(17)22)16-6-4-3-5-7-16/h3-11,17,19H,12H2,1-2H3/t17-/m0/s1