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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=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

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