tert-butyl 5,6-bis(4-chlorophenyl)-3-(1-oxidanylpropan-2-ylcarbamoyl)pyrazine-2-carboxylate

Systemtic Name: tert-butyl 5,6-bis(4-chlorophenyl)-3-(1-oxidanylpropan-2-ylcarbamoyl)pyrazine-2-carboxylate Openeye Name: tert-butyl 5,6-bis(4-chlorophenyl)-3-[(2-hydroxy-1-methyl-ethyl)carbamoyl]pyrazine-2-carboxylate CAS Name: 5,6-bis(4-chlorophenyl)-3-[(1-hydroxypropan-2-ylamino)-oxomethyl]-2-pyrazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5,6-bis(4-chlorophenyl)-3-(1-hydroxypropan-2-ylcarbamoyl)pyrazine-2-carboxylate Traditional Name: 5,6-bis(4-chlorophenyl)-3-[(2-hydroxy-1-methyl-ethyl)carbamoyl]pyrazinic acid tert-butyl ester Formula: C25H25Cl2N3O4 MolecularWeight: 502.3897

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NC(=O)C1=NC(=C(N=C1C(=O)OC(C)(C)C)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(CO)NC(=O)C1=NC(=C(N=C1C(=O)OC(C)(C)C)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H25Cl2N3O4/c1-14(13-31)28-23(32)21-22(24(33)34-25(2,3)4)30-20(16-7-11-18(27)12-8-16)19(29-21)15-5-9-17(26)10-6-15/h5-12,14,31H,13H2,1-4H3,(H,28,32)