tetramethyl 4-(4-methylphenyl)-2-phenyl-1H-imidazo[4,5-b]azepine-5,6,7,8-tetracarboxylate

Systemtic Name: tetramethyl 4-(4-methylphenyl)-2-phenyl-1H-imidazo[4,5-b]azepine-5,6,7,8-tetracarboxylate Openeye Name: tetramethyl 2-phenyl-4-(p-tolyl)-1H-imidazo[4,5-b]azepine-5,6,7,8-tetracarboxylate CAS Name: 4-(4-methylphenyl)-2-phenyl-1H-imidazo[4,5-b]azepine-5,6,7,8-tetracarboxylic acid tetramethyl ester IUPAC Name: tetramethyl 4-(4-methylphenyl)-2-phenyl-1H-imidazo[4,5-b]azepine-5,6,7,8-tetracarboxylate Traditional Name: 2-phenyl-4-(p-tolyl)-1H-imidaz[4,5-b]azepine-5,6,7,8-tetracarboxylic acid tetramethyl ester Formula: C28H25N3O8 MolecularWeight: 531.5134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=C(C3=C2N=C(N3)C4=CC=CC=C4)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=C(C3=C2N=C(N3)C4=CC=CC=C4)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC

InChI

InChI=1S/C28H25N3O8/c1-15-11-13-17(14-12-15)31-22(28(35)39-5)20(27(34)38-4)18(25(32)36-2)19(26(33)37-3)21-24(31)30-23(29-21)16-9-7-6-8-10-16/h6-14H,1-5H3,(H,29,30)