(4E)-3-(4-methylpyridin-1-ium-1-yl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propan-2-yl-pyrazol-4-ylidene)-1-(phenylmethyl)pyrrol-2-olate

Systemtic Name: (4E)-3-(4-methylpyridin-1-ium-1-yl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propan-2-yl-pyrazol-4-ylidene)-1-(phenylmethyl)pyrrol-2-olate Openeye Name: (4E)-1-benzyl-4-(3-isopropyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-3-(4-methylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: (4E)-3-(4-methyl-1-pyridin-1-iumyl)-5-oxo-4-(5-oxo-1-phenyl-3-propan-2-yl-4-pyrazolylidene)-1-(phenylmethyl)-2-pyrrololate IUPAC Name: (4E)-1-benzyl-3-(4-methylpyridin-1-ium-1-yl)-5-oxo-4-(5-oxo-1-phenyl-3-propan-2-ylpyrazol-4-ylidene)pyrrol-2-olate Traditional Name: (4E)-1-benzyl-4-(3-isopropyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-5-keto-3-(4-methylpyridin-1-ium-1-yl)-2-pyrrolin-2-olate Formula: C29H26N4O3 MolecularWeight: 478.54174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=CC=C4)C(C)C)CC5=CC=CC=C5)[O-]

Isomeric SMILES

CC1=CC=[N+](C=C1)C\2=C(N(C(=O)/C2=C/3\C(=NN(C3=O)C4=CC=CC=C4)C(C)C)CC5=CC=CC=C5)[O-]

InChI

InChI=1S/C29H26N4O3/c1-19(2)25-23(28(35)33(30-25)22-12-8-5-9-13-22)24-26(31-16-14-20(3)15-17-31)29(36)32(27(24)34)18-21-10-6-4-7-11-21/h4-17,19H,18H2,1-3H3