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

Systemtic Name: (4Z)-4-[[4-(dioctylamino)-2-methyl-phenyl]methylidene]-5-isocyano-2-phenyl-pyrazol-3-one Openeye Name: (4Z)-4-[[4-(dioctylamino)-2-methyl-phenyl]methylene]-5-isocyano-2-phenyl-pyrazol-3-one CAS Name: (4Z)-4-[[4-(dioctylamino)-2-methylphenyl]methylidene]-5-isocyano-2-phenyl-3-pyrazolone IUPAC Name: (4Z)-4-[[4-(dioctylamino)-2-methylphenyl]methylidene]-5-isocyano-2-phenylpyrazol-3-one Traditional Name: (4Z)-4-[4-(dioctylamino)-2-methyl-benzylidene]-5-isocyano-2-phenyl-2-pyrazolin-3-one Formula: C34H46N4O MolecularWeight: 526.75524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)C1=CC(=C(C=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)[N+]#[C-])C

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)C1=CC(=C(C=C1)/C=C\2/C(=NN(C2=O)C3=CC=CC=C3)[N+]#[C-])C

InChI

InChI=1S/C34H46N4O/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/h15-17,20-23,26-27H,5-14,18-19,24-25H2,1-3H3/b32-27-