4-[[4-(dioctylamino)-2-methyl-phenyl]methyl]-5-isocyano-2-phenyl-4H-pyrazol-3-one

Systemtic Name: 4-[[4-(dioctylamino)-2-methyl-phenyl]methyl]-5-isocyano-2-phenyl-4H-pyrazol-3-one Openeye Name: 4-[[4-(dioctylamino)-2-methyl-phenyl]methyl]-5-isocyano-2-phenyl-4H-pyrazol-3-one CAS Name: 4-[[4-(dioctylamino)-2-methylphenyl]methyl]-5-isocyano-2-phenyl-4H-pyrazol-3-one IUPAC Name: 4-[[4-(dioctylamino)-2-methylphenyl]methyl]-5-isocyano-2-phenyl-4H-pyrazol-3-one Traditional Name: 4-[4-(dioctylamino)-2-methyl-benzyl]-5-isocyano-2-phenyl-2-pyrazolin-3-one Formula: C34H48N4O MolecularWeight: 528.77112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)C1=CC(=C(C=C1)CC2C(=NN(C2=O)C3=CC=CC=C3)[N+]#[C-])C

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)C1=CC(=C(C=C1)CC2C(=NN(C2=O)C3=CC=CC=C3)[N+]#[C-])C

InChI

InChI=1S/C34H48N4O/c1-5-7-9-11-13-18-24-37(25-19-14-12-10-8-6-2)31-23-22-29(28(3)26-31)27-32-33(35-4)36-38(34(32)39)30-20-16-15-17-21-30/h15-17,20-23,26,32H,5-14,18-19,24-25,27H2,1-3H3