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

Systemtic Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-(piperidin-1-ylmethylidene)pyrazol-3-one Openeye Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-(1-piperidylmethylene)pyrazol-3-one CAS Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-(1-piperidinylmethylidene)-3-pyrazolone IUPAC Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-(piperidin-1-ylmethylidene)pyrazol-3-one Traditional Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-(piperidinomethylene)-2-pyrazolin-3-one Formula: C18H23N3O MolecularWeight: 297.39472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CN3CCCCC3)C(=N2)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)/C(=C/N3CCCCC3)/C(=N2)C)C

InChI

InChI=1S/C18H23N3O/c1-13-7-8-16(11-14(13)2)21-18(22)17(15(3)19-21)12-20-9-5-4-6-10-20/h7-8,11-12H,4-6,9-10H2,1-3H3/b17-12+