(4E)-2-(3,4-dimethylphenyl)-5-methyl-4-[[(phenylmethyl)amino]methylidene]pyrazol-3-one

Systemtic Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-[[(phenylmethyl)amino]methylidene]pyrazol-3-one Openeye Name: (4E)-4-[(benzylamino)methylene]-2-(3,4-dimethylphenyl)-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-[[(phenylmethyl)amino]methylidene]-3-pyrazolone IUPAC Name: (4E)-4-[(benzylamino)methylidene]-2-(3,4-dimethylphenyl)-5-methylpyrazol-3-one Traditional Name: (4E)-4-[(benzylamino)methylene]-2-(3,4-dimethylphenyl)-5-methyl-2-pyrazolin-3-one Formula: C20H21N3O MolecularWeight: 319.40024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CNCC3=CC=CC=C3)C(=N2)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O/c1-14-9-10-18(11-15(14)2)23-20(24)19(16(3)22-23)13-21-12-17-7-5-4-6-8-17/h4-11,13,21H,12H2,1-3H3/b19-13+