5-(dioctylamino)-2-(4-methylphenyl)-3-oxidanylidene-1H-pyrazole-4-carbaldehyde

Systemtic Name: 5-(dioctylamino)-2-(4-methylphenyl)-3-oxidanylidene-1H-pyrazole-4-carbaldehyde Openeye Name: 5-(dioctylamino)-3-oxo-2-(p-tolyl)-1H-pyrazole-4-carbaldehyde CAS Name: 5-(dioctylamino)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-4-carboxaldehyde IUPAC Name: 5-(dioctylamino)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-4-carbaldehyde Traditional Name: 3-(dioctylamino)-5-keto-1-(p-tolyl)-3-pyrazoline-4-carbaldehyde Formula: C27H43N3O2 MolecularWeight: 441.64922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)C1=C(C(=O)N(N1)C2=CC=C(C=C2)C)C=O

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)C1=C(C(=O)N(N1)C2=CC=C(C=C2)C)C=O

InChI

InChI=1S/C27H43N3O2/c1-4-6-8-10-12-14-20-29(21-15-13-11-9-7-5-2)26-25(22-31)27(32)30(28-26)24-18-16-23(3)17-19-24/h16-19,22,28H,4-15,20-21H2,1-3H3