tert-butyl 5,6-bis(4-chlorophenyl)-3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)pyrazine-2-carboxylate

Systemtic Name: tert-butyl 5,6-bis(4-chlorophenyl)-3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)pyrazine-2-carboxylate Openeye Name: tert-butyl 5,6-bis(4-chlorophenyl)-3-(4-methyl-4,5-dihydrooxazol-2-yl)pyrazine-2-carboxylate CAS Name: 5,6-bis(4-chlorophenyl)-3-(4-methyl-4,5-dihydrooxazol-2-yl)-2-pyrazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5,6-bis(4-chlorophenyl)-3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)pyrazine-2-carboxylate Traditional Name: 5,6-bis(4-chlorophenyl)-3-(4-methyl-2-oxazolin-2-yl)pyrazinic acid tert-butyl ester Formula: C25H23Cl2N3O3 MolecularWeight: 484.37442

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Descriptors Computed from Structure

Canonical SMILES:

CC1COC(=N1)C2=NC(=C(N=C2C(=O)OC(C)(C)C)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1COC(=N1)C2=NC(=C(N=C2C(=O)OC(C)(C)C)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H23Cl2N3O3/c1-14-13-32-23(28-14)21-22(24(31)33-25(2,3)4)30-20(16-7-11-18(27)12-8-16)19(29-21)15-5-9-17(26)10-6-15/h5-12,14H,13H2,1-4H3