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

Systemtic Name: butyl 5,6-bis(4-chlorophenyl)-3-(piperidin-1-ylcarbamoyl)pyrazine-2-carboxylate Openeye Name: butyl 5,6-bis(4-chlorophenyl)-3-(1-piperidylcarbamoyl)pyrazine-2-carboxylate CAS Name: 5,6-bis(4-chlorophenyl)-3-[oxo-(1-piperidinylamino)methyl]-2-pyrazinecarboxylic acid butyl ester IUPAC Name: butyl 5,6-bis(4-chlorophenyl)-3-(piperidin-1-ylcarbamoyl)pyrazine-2-carboxylate Traditional Name: 5,6-bis(4-chlorophenyl)-3-(piperidinocarbamoyl)pyrazinic acid butyl ester Formula: C27H28Cl2N4O3 MolecularWeight: 527.44222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=NC(=C(N=C1C(=O)NN2CCCCC2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCOC(=O)C1=NC(=C(N=C1C(=O)NN2CCCCC2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H28Cl2N4O3/c1-2-3-17-36-27(35)25-24(26(34)32-33-15-5-4-6-16-33)30-22(18-7-11-20(28)12-8-18)23(31-25)19-9-13-21(29)14-10-19/h7-14H,2-6,15-17H2,1H3,(H,32,34)