3-(5-ethyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-4-(3-ethylpyridin-1-ium-1-yl)-1-(phenylmethyl)pyrrole-2,5-dione

Systemtic Name: 3-(5-ethyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-4-(3-ethylpyridin-1-ium-1-yl)-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(3-ethylpyridin-1-ium-1-yl)pyrrole-2,5-dione CAS Name: 3-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(3-ethyl-1-pyridin-1-iumyl)-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(3-ethylpyridin-1-ium-1-yl)pyrrole-2,5-dione Traditional Name: 1-benzyl-3-(3-ethyl-5-keto-1-phenyl-3-pyrazolin-4-yl)-4-(3-ethylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C29H27N4O3+ MolecularWeight: 479.54968

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)CC3=CC=CC=C3)C4=C(NN(C4=O)C5=CC=CC=C5)CC

Isomeric SMILES

CCC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)CC3=CC=CC=C3)C4=C(NN(C4=O)C5=CC=CC=C5)CC

InChI

InChI=1S/C29H26N4O3/c1-3-20-14-11-17-31(18-20)26-25(27(34)32(29(26)36)19-21-12-7-5-8-13-21)24-23(4-2)30-33(28(24)35)22-15-9-6-10-16-22/h5-18H,3-4,19H2,1-2H3/p+1