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

Systemtic Name: cyclohexyl 5,6-bis(4-chlorophenyl)-3-(piperidin-1-ylcarbamoyl)pyrazine-2-carboxylate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 5,6-bis(4-chlorophenyl)-3-(piperidin-1-ylcarbamoyl)pyrazine-2-carboxylate Traditional Name: 5,6-bis(4-chlorophenyl)-3-(piperidinocarbamoyl)pyrazinic acid cyclohexyl ester Formula: C29H30Cl2N4O3 MolecularWeight: 553.4795

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=NC(=C(N=C2C(=O)NN3CCCCC3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=NC(=C(N=C2C(=O)NN3CCCCC3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H30Cl2N4O3/c30-21-13-9-19(10-14-21)24-25(20-11-15-22(31)16-12-20)33-27(29(37)38-23-7-3-1-4-8-23)26(32-24)28(36)34-35-17-5-2-6-18-35/h9-16,23H,1-8,17-18H2,(H,34,36)