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

Systemtic Name: 4-[1-(4-chlorophenyl)-5-oxidanylidene-3-propan-2-yl-pyrazol-4-ylidene]-1-cyclohexyl-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: 4-[1-(4-chlorophenyl)-3-isopropyl-5-oxo-pyrazol-4-ylidene]-1-cyclohexyl-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: 4-[1-(4-chlorophenyl)-5-oxo-3-propan-2-yl-4-pyrazolylidene]-1-cyclohexyl-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-2-pyrrololate IUPAC Name: 4-[1-(4-chlorophenyl)-5-oxo-3-propan-2-ylpyrazol-4-ylidene]-1-cyclohexyl-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: 4-[1-(4-chlorophenyl)-3-isopropyl-5-keto-2-pyrazolin-4-ylidene]-1-cyclohexyl-5-keto-3-(3-methylpyridin-1-ium-1-yl)-2-pyrrolin-2-olate Formula: C28H29ClN4O3 MolecularWeight: 505.00786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=C(C=C4)Cl)C(C)C)C5CCCCC5)[O-]

Isomeric SMILES

CC1=C[N+](=CC=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=C(C=C4)Cl)C(C)C)C5CCCCC5)[O-]

InChI

InChI=1S/C28H29ClN4O3/c1-17(2)24-22(27(35)33(30-24)21-13-11-19(29)12-14-21)23-25(31-15-7-8-18(3)16-31)28(36)32(26(23)34)20-9-5-4-6-10-20/h7-8,11-17,20H,4-6,9-10H2,1-3H3