dimethyl 5,6-diphenyl-1H-1,2,4-triazepine-3,7-dicarboxylate

Systemtic Name: dimethyl 5,6-diphenyl-1H-1,2,4-triazepine-3,7-dicarboxylate Openeye Name: dimethyl 5,6-diphenyl-1H-1,2,4-triazepine-3,7-dicarboxylate CAS Name: 5,6-diphenyl-1H-1,2,4-triazepine-3,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5,6-diphenyl-1H-1,2,4-triazepine-3,7-dicarboxylate Traditional Name: 5,6-diphenyl-1H-1,2,4-triazepine-3,7-dicarboxylic acid dimethyl ester Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=NC(=NN1)C(=O)OC)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C(=NC(=NN1)C(=O)OC)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H17N3O4/c1-26-19(24)17-15(13-9-5-3-6-10-13)16(14-11-7-4-8-12-14)21-18(23-22-17)20(25)27-2/h3-12,22H,1-2H3