2-[2,4-dimethyl-5-[(Z)-[3-(5-oxidanylidene-1,4-dihydropyrazol-4-yl)-1H-pyrazin-2-ylidene]methyl]-1H-pyrrol-3-yl]-N,N-diethyl-ethanamine oxide

Systemtic Name: 2-[2,4-dimethyl-5-[(Z)-[3-(5-oxidanylidene-1,4-dihydropyrazol-4-yl)-1H-pyrazin-2-ylidene]methyl]-1H-pyrrol-3-yl]-N,N-diethyl-ethanamine oxide Openeye Name: 2-[2,4-dimethyl-5-[(Z)-[3-(5-oxo-1,4-dihydropyrazol-4-yl)-1H-pyrazin-2-ylidene]methyl]-1H-pyrrol-3-yl]-N,N-diethyl-ethanamine oxide CAS Name: 2-[2,4-dimethyl-5-[(Z)-[3-(5-oxo-1,4-dihydropyrazol-4-yl)-1H-pyrazin-2-ylidene]methyl]-1H-pyrrol-3-yl]-N,N-diethylethanamine oxide IUPAC Name: 2-[2,4-dimethyl-5-[(Z)-[3-(5-oxo-1,4-dihydropyrazol-4-yl)-1H-pyrazin-2-ylidene]methyl]-1H-pyrrol-3-yl]-N,N-diethylethanamine oxide Traditional Name: N,N-diethyl-2-[5-[(Z)-[3-(3-keto-2-pyrazolin-4-yl)-1H-pyrazin-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanamine oxide Formula: C20H28N6O2 MolecularWeight: 384.47532

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CCC1=C(NC(=C1C)C=C2C(=NC=CN2)C3C=NNC3=O)C)[O-]

Isomeric SMILES

CC[N+](CC)(CCC1=C(NC(=C1C)/C=C\2/C(=NC=CN2)C3C=NNC3=O)C)[O-]

InChI

InChI=1S/C20H28N6O2/c1-5-26(28,6-2)10-7-15-13(3)17(24-14(15)4)11-18-19(22-9-8-21-18)16-12-23-25-20(16)27/h8-9,11-12,16,21,24H,5-7,10H2,1-4H3,(H,25,27)/b18-11-