tert-butyl 5,6-bis(4-chlorophenyl)-3-[2-hydroxyethyl(methyl)carbamoyl]pyrazine-2-carboxylate

Systemtic Name: tert-butyl 5,6-bis(4-chlorophenyl)-3-[2-hydroxyethyl(methyl)carbamoyl]pyrazine-2-carboxylate Openeye Name: tert-butyl 5,6-bis(4-chlorophenyl)-3-[2-hydroxyethyl(methyl)carbamoyl]pyrazine-2-carboxylate CAS Name: 5,6-bis(4-chlorophenyl)-3-[[2-hydroxyethyl(methyl)amino]-oxomethyl]-2-pyrazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5,6-bis(4-chlorophenyl)-3-[2-hydroxyethyl(methyl)carbamoyl]pyrazine-2-carboxylate Traditional Name: 5,6-bis(4-chlorophenyl)-3-[2-hydroxyethyl(methyl)carbamoyl]pyrazinic acid tert-butyl ester Formula: C25H25Cl2N3O4 MolecularWeight: 502.3897

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=NC(=C(N=C1C(=O)N(C)CCO)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1=NC(=C(N=C1C(=O)N(C)CCO)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H25Cl2N3O4/c1-25(2,3)34-24(33)22-21(23(32)30(4)13-14-31)28-19(15-5-9-17(26)10-6-15)20(29-22)16-7-11-18(27)12-8-16/h5-12,31H,13-14H2,1-4H3