4-[(4-dimethylaminophenyl)-(1-hexyl-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl)methyl]-2-hexyl-5-methyl-4H-pyrazol-3-one

Systemtic Name: 4-[(4-dimethylaminophenyl)-(1-hexyl-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl)methyl]-2-hexyl-5-methyl-4H-pyrazol-3-one Openeye Name: 4-[(4-dimethylaminophenyl)-(1-hexyl-3-methyl-5-oxo-4H-pyrazol-4-yl)methyl]-2-hexyl-5-methyl-4H-pyrazol-3-one CAS Name: 4-[(4-dimethylaminophenyl)-(1-hexyl-3-methyl-5-oxo-4H-pyrazol-4-yl)methyl]-2-hexyl-5-methyl-4H-pyrazol-3-one IUPAC Name: 4-[(4-dimethylaminophenyl)-(1-hexyl-3-methyl-5-oxo-4H-pyrazol-4-yl)methyl]-2-hexyl-5-methyl-4H-pyrazol-3-one Traditional Name: 4-[(4-dimethylaminophenyl)-(1-hexyl-5-keto-3-methyl-2-pyrazolin-4-yl)methyl]-2-hexyl-5-methyl-2-pyrazolin-3-one Formula: C29H45N5O2 MolecularWeight: 495.6999

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(C(=N1)C)C(C2C(=NN(C2=O)CCCCCC)C)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCCCCCN1C(=O)C(C(=N1)C)C(C2C(=NN(C2=O)CCCCCC)C)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C29H45N5O2/c1-7-9-11-13-19-33-28(35)25(21(3)30-33)27(23-15-17-24(18-16-23)32(5)6)26-22(4)31-34(29(26)36)20-14-12-10-8-2/h15-18,25-27H,7-14,19-20H2,1-6H3