3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]pyrazine-2-carboxylate

Systemtic Name: 3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]pyrazine-2-carboxylate Openeye Name: 3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamoyl]pyrazine-2-carboxylate CAS Name: 3-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-oxomethyl]-2-pyrazinecarboxylate IUPAC Name: 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]pyrazine-2-carboxylate Traditional Name: 3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)carbamoyl]pyrazinate Formula: C17H14N5O4- MolecularWeight: 352.32416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NC=CN=C3C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NC=CN=C3C(=O)[O-]

InChI

InChI=1S/C17H15N5O4/c1-10-12(16(24)22(21(10)2)11-6-4-3-5-7-11)20-15(23)13-14(17(25)26)19-9-8-18-13/h3-9H,1-2H3,(H,20,23)(H,25,26)/p-1