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

Systemtic Name: tert-butyl 5,6-bis(4-methylphenyl)-3-(piperidin-1-ylcarbamoyl)pyrazine-2-carboxylate Openeye Name: tert-butyl 3-(1-piperidylcarbamoyl)-5,6-bis(p-tolyl)pyrazine-2-carboxylate CAS Name: 5,6-bis(4-methylphenyl)-3-[oxo-(1-piperidinylamino)methyl]-2-pyrazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5,6-bis(4-methylphenyl)-3-(piperidin-1-ylcarbamoyl)pyrazine-2-carboxylate Traditional Name: 3-(piperidinocarbamoyl)-5,6-bis(p-tolyl)pyrazinic acid tert-butyl ester Formula: C29H34N4O3 MolecularWeight: 486.60526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=C(C(=N2)C(=O)NN3CCCCC3)C(=O)OC(C)(C)C)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=C(C(=N2)C(=O)NN3CCCCC3)C(=O)OC(C)(C)C)C4=CC=C(C=C4)C

InChI

InChI=1S/C29H34N4O3/c1-19-9-13-21(14-10-19)23-24(22-15-11-20(2)12-16-22)31-26(28(35)36-29(3,4)5)25(30-23)27(34)32-33-17-7-6-8-18-33/h9-16H,6-8,17-18H2,1-5H3,(H,32,34)