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

Systemtic Name: tert-butyl 5,6-bis(4-chlorophenyl)-3-(morpholin-4-ylcarbamoyl)pyrazine-2-carboxylate Openeye Name: tert-butyl 5,6-bis(4-chlorophenyl)-3-(morpholinocarbamoyl)pyrazine-2-carboxylate CAS Name: 5,6-bis(4-chlorophenyl)-3-[(4-morpholinylamino)-oxomethyl]-2-pyrazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5,6-bis(4-chlorophenyl)-3-(morpholin-4-ylcarbamoyl)pyrazine-2-carboxylate Traditional Name: 5,6-bis(4-chlorophenyl)-3-(morpholinocarbamoyl)pyrazinic acid tert-butyl ester Formula: C26H26Cl2N4O4 MolecularWeight: 529.41504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=NC(=C(N=C1C(=O)NN2CCOCC2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1=NC(=C(N=C1C(=O)NN2CCOCC2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H26Cl2N4O4/c1-26(2,3)36-25(34)23-22(24(33)31-32-12-14-35-15-13-32)29-20(16-4-8-18(27)9-5-16)21(30-23)17-6-10-19(28)11-7-17/h4-11H,12-15H2,1-3H3,(H,31,33)