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

Systemtic Name: (phenylmethyl) 5,6-bis(4-chlorophenyl)-3-(piperidin-1-ylcarbamoyl)pyrazine-2-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 5,6-bis(4-chlorophenyl)-3-(piperidin-1-ylcarbamoyl)pyrazine-2-carboxylate Traditional Name: 5,6-bis(4-chlorophenyl)-3-(piperidinocarbamoyl)pyrazinic acid benzyl ester Formula: C30H26Cl2N4O3 MolecularWeight: 561.45844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)NC(=O)C2=NC(=C(N=C2C(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCN(CC1)NC(=O)C2=NC(=C(N=C2C(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C30H26Cl2N4O3/c31-23-13-9-21(10-14-23)25-26(22-11-15-24(32)16-12-22)34-28(30(38)39-19-20-7-3-1-4-8-20)27(33-25)29(37)35-36-17-5-2-6-18-36/h1,3-4,7-16H,2,5-6,17-19H2,(H,35,37)