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

Systemtic Name: ethyl 3-benzamido-5-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-6-phenyl-pyrazine-2-carboxylate Openeye Name: ethyl 3-benzamido-5-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-6-phenyl-pyrazine-2-carboxylate CAS Name: 3-benzamido-5-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-6-phenyl-2-pyrazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzamido-5-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-phenylpyrazine-2-carboxylate Traditional Name: 3-benzamido-5-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-6-phenyl-pyrazinic acid ethyl ester Formula: C31H27N5O4 MolecularWeight: 533.57718

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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=CC=C5

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=CC=C5

InChI

InChI=1S/C31H27N5O4/c1-4-40-31(39)27-28(34-29(37)22-16-10-6-11-17-22)33-26(25(32-27)21-14-8-5-9-15-21)24-20(2)35(3)36(30(24)38)23-18-12-7-13-19-23/h5-19H,4H2,1-3H3,(H,33,34,37)