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

Systemtic Name: 4-[1-(3-chlorophenyl)-5-oxidanylidene-3-propan-2-yl-pyrazol-4-ylidene]-3-(3,5-dimethylpyridin-1-ium-1-yl)-5-oxidanylidene-1-propan-2-yl-pyrrol-2-olate Openeye Name: 4-[1-(3-chlorophenyl)-3-isopropyl-5-oxo-pyrazol-4-ylidene]-3-(3,5-dimethylpyridin-1-ium-1-yl)-1-isopropyl-5-oxo-pyrrol-2-olate CAS Name: 4-[1-(3-chlorophenyl)-5-oxo-3-propan-2-yl-4-pyrazolylidene]-3-(3,5-dimethyl-1-pyridin-1-iumyl)-5-oxo-1-propan-2-yl-2-pyrrololate IUPAC Name: 4-[1-(3-chlorophenyl)-5-oxo-3-propan-2-ylpyrazol-4-ylidene]-3-(3,5-dimethylpyridin-1-ium-1-yl)-5-oxo-1-propan-2-ylpyrrol-2-olate Traditional Name: 4-[1-(3-chlorophenyl)-3-isopropyl-5-keto-2-pyrazolin-4-ylidene]-3-(3,5-dimethylpyridin-1-ium-1-yl)-1-isopropyl-5-keto-2-pyrrolin-2-olate Formula: C26H27ClN4O3 MolecularWeight: 478.97058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C[N+](=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC(=CC=C4)Cl)C(C)C)C(C)C)[O-])C

Isomeric SMILES

CC1=CC(=C[N+](=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC(=CC=C4)Cl)C(C)C)C(C)C)[O-])C

InChI

InChI=1S/C26H27ClN4O3/c1-14(2)22-20(25(33)31(28-22)19-9-7-8-18(27)11-19)21-23(26(34)30(15(3)4)24(21)32)29-12-16(5)10-17(6)13-29/h7-15H,1-6H3