(4E)-2-(3,4-dimethylphenyl)-5-methyl-4-(piperazin-1-ylmethylidene)pyrazol-3-one

Systemtic Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-(piperazin-1-ylmethylidene)pyrazol-3-one Openeye Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-(piperazin-1-ylmethylene)pyrazol-3-one CAS Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-(1-piperazinylmethylidene)-3-pyrazolone IUPAC Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-(piperazin-1-ylmethylidene)pyrazol-3-one Traditional Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-(piperazinomethylene)-2-pyrazolin-3-one Formula: C17H22N4O MolecularWeight: 298.38278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CN3CCNCC3)C(=N2)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)/C(=C/N3CCNCC3)/C(=N2)C)C

InChI

InChI=1S/C17H22N4O/c1-12-4-5-15(10-13(12)2)21-17(22)16(14(3)19-21)11-20-8-6-18-7-9-20/h4-5,10-11,18H,6-9H2,1-3H3/b16-11+