4-[1-(4-chlorophenyl)-5-oxidanylidene-3-propan-2-yl-pyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-1-propyl-pyrrol-2-olate

Systemtic Name: 4-[1-(4-chlorophenyl)-5-oxidanylidene-3-propan-2-yl-pyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-1-propyl-pyrrol-2-olate Openeye Name: 4-[1-(4-chlorophenyl)-3-isopropyl-5-oxo-pyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-1-propyl-pyrrol-2-olate CAS Name: 4-[1-(4-chlorophenyl)-5-oxo-3-propan-2-yl-4-pyrazolylidene]-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-1-propyl-2-pyrrololate IUPAC Name: 4-[1-(4-chlorophenyl)-5-oxo-3-propan-2-ylpyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-1-propylpyrrol-2-olate Traditional Name: 4-[1-(4-chlorophenyl)-3-isopropyl-5-keto-2-pyrazolin-4-ylidene]-5-keto-3-(3-methylpyridin-1-ium-1-yl)-1-propyl-2-pyrrolin-2-olate Formula: C25H25ClN4O3 MolecularWeight: 464.944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=C2C(=NN(C2=O)C3=CC=C(C=C3)Cl)C(C)C)C1=O)[N+]4=CC=CC(=C4)C)[O-]

Isomeric SMILES

CCCN1C(=C(C(=C2C(=NN(C2=O)C3=CC=C(C=C3)Cl)C(C)C)C1=O)[N+]4=CC=CC(=C4)C)[O-]

InChI

InChI=1S/C25H25ClN4O3/c1-5-12-29-23(31)20(22(25(29)33)28-13-6-7-16(4)14-28)19-21(15(2)3)27-30(24(19)32)18-10-8-17(26)9-11-18/h6-11,13-15H,5,12H2,1-4H3