ethyl 3-benzamido-5-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-6-(4-fluorophenyl)pyrazine-2-carboxylate

Systemtic Name: ethyl 3-benzamido-5-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-6-(4-fluorophenyl)pyrazine-2-carboxylate Openeye Name: ethyl 3-benzamido-5-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-6-(4-fluorophenyl)pyrazine-2-carboxylate CAS Name: 3-benzamido-5-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-6-(4-fluorophenyl)-2-pyrazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzamido-5-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-(4-fluorophenyl)pyrazine-2-carboxylate Traditional Name: 3-benzamido-6-(4-fluorophenyl)-5-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)pyrazinic acid ethyl ester Formula: C31H26FN5O4 MolecularWeight: 551.567643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=C(N=C1NC(=O)C2=CC=CC=C2)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C5=CC=C(C=C5)F

Isomeric SMILES

CCOC(=O)C1=NC(=C(N=C1NC(=O)C2=CC=CC=C2)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C5=CC=C(C=C5)F

InChI

InChI=1S/C31H26FN5O4/c1-4-41-31(40)27-28(35-29(38)21-11-7-5-8-12-21)34-26(25(33-27)20-15-17-22(32)18-16-20)24-19(2)36(3)37(30(24)39)23-13-9-6-10-14-23/h5-18H,4H2,1-3H3,(H,34,35,38)