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

Systemtic Name: tert-butyl 5,6-bis(4-chlorophenyl)-3-(pentan-3-ylcarbamoyl)pyrazine-2-carboxylate Openeye Name: tert-butyl 5,6-bis(4-chlorophenyl)-3-(1-ethylpropylcarbamoyl)pyrazine-2-carboxylate CAS Name: 5,6-bis(4-chlorophenyl)-3-[oxo-(pentan-3-ylamino)methyl]-2-pyrazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5,6-bis(4-chlorophenyl)-3-(pentan-3-ylcarbamoyl)pyrazine-2-carboxylate Traditional Name: 5,6-bis(4-chlorophenyl)-3-(1-ethylpropylcarbamoyl)pyrazinic acid tert-butyl ester Formula: C27H29Cl2N3O3 MolecularWeight: 514.44346

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)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

CCC(CC)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/C27H29Cl2N3O3/c1-6-20(7-2)30-25(33)23-24(26(34)35-27(3,4)5)32-22(17-10-14-19(29)15-11-17)21(31-23)16-8-12-18(28)13-9-16/h8-15,20H,6-7H2,1-5H3,(H,30,33)