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

Systemtic Name: tert-butyl 5,6-bis(4-chlorophenyl)-3-(piperidin-1-ylcarbamoyl)pyrazine-2-carboxylate Openeye Name: tert-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 tert-butyl ester IUPAC Name: tert-butyl 5,6-bis(4-chlorophenyl)-3-(piperidin-1-ylcarbamoyl)pyrazine-2-carboxylate Traditional Name: 5,6-bis(4-chlorophenyl)-3-(piperidinocarbamoyl)pyrazinic acid tert-butyl ester Formula: C27H28Cl2N4O3 MolecularWeight: 527.44222

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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