(4E)-2-(3,4-dimethylphenyl)-5-methyl-4-(propylaminomethylidene)pyrazol-3-one

Systemtic Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-(propylaminomethylidene)pyrazol-3-one Openeye Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-(propylaminomethylene)pyrazol-3-one CAS Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-(propylaminomethylidene)-3-pyrazolone IUPAC Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-(propylaminomethylidene)pyrazol-3-one Traditional Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-(propylaminomethylene)-2-pyrazolin-3-one Formula: C16H21N3O MolecularWeight: 271.35744

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC=C1C(=NN(C1=O)C2=CC(=C(C=C2)C)C)C

Isomeric SMILES

CCCN/C=C/1\C(=NN(C1=O)C2=CC(=C(C=C2)C)C)C

InChI

InChI=1S/C16H21N3O/c1-5-8-17-10-15-13(4)18-19(16(15)20)14-7-6-11(2)12(3)9-14/h6-7,9-10,17H,5,8H2,1-4H3/b15-10+