diethyl 3-phenyl-5-(phenylcarbonyl)-4-(phenylmethyl)-1,2,4-triazolidine-1,2-dicarboxylate

Systemtic Name: diethyl 3-phenyl-5-(phenylcarbonyl)-4-(phenylmethyl)-1,2,4-triazolidine-1,2-dicarboxylate Openeye Name: diethyl 3-benzoyl-4-benzyl-5-phenyl-1,2,4-triazolidine-1,2-dicarboxylate CAS Name: 3-benzoyl-5-phenyl-4-(phenylmethyl)-1,2,4-triazolidine-1,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-benzoyl-4-benzyl-5-phenyl-1,2,4-triazolidine-1,2-dicarboxylate Traditional Name: 3-benzoyl-4-benzyl-5-phenyl-1,2,4-triazolidine-1,2-dicarboxylic acid diethyl ester Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(N(C(N1C(=O)OCC)C(=O)C2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1C(N(C(N1C(=O)OCC)C(=O)C2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H29N3O5/c1-3-35-27(33)30-25(23-18-12-7-13-19-23)29(20-21-14-8-5-9-15-21)26(31(30)28(34)36-4-2)24(32)22-16-10-6-11-17-22/h5-19,25-26H,3-4,20H2,1-2H3