tert-butyl 3-[(tert-butylamino)carbamoyl]-5,6-bis(4-chlorophenyl)pyrazine-2-carboxylate

Systemtic Name: tert-butyl 3-[(tert-butylamino)carbamoyl]-5,6-bis(4-chlorophenyl)pyrazine-2-carboxylate Openeye Name: tert-butyl 3-[(tert-butylamino)carbamoyl]-5,6-bis(4-chlorophenyl)pyrazine-2-carboxylate CAS Name: 3-[(tert-butylhydrazo)-oxomethyl]-5,6-bis(4-chlorophenyl)-2-pyrazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(tert-butylamino)carbamoyl]-5,6-bis(4-chlorophenyl)pyrazine-2-carboxylate Traditional Name: 3-[(tert-butylamino)carbamoyl]-5,6-bis(4-chlorophenyl)pyrazinic acid tert-butyl ester Formula: C26H28Cl2N4O3 MolecularWeight: 515.43152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NNC(=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(C)(C)NNC(=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/C26H28Cl2N4O3/c1-25(2,3)32-31-23(33)21-22(24(34)35-26(4,5)6)30-20(16-9-13-18(28)14-10-16)19(29-21)15-7-11-17(27)12-8-15/h7-14,32H,1-6H3,(H,31,33)