ethyl 4-(4-chlorophenyl)-1-methyl-3-phenyl-2-(phenylcarbonyl)-3H-1,2,4,5-tetrazine-6-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-1-methyl-3-phenyl-2-(phenylcarbonyl)-3H-1,2,4,5-tetrazine-6-carboxylate Openeye Name: ethyl 2-benzoyl-4-(4-chlorophenyl)-1-methyl-3-phenyl-3H-1,2,4,5-tetrazine-6-carboxylate CAS Name: 2-benzoyl-4-(4-chlorophenyl)-1-methyl-3-phenyl-3H-1,2,4,5-tetrazine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzoyl-4-(4-chlorophenyl)-1-methyl-3-phenyl-3H-1,2,4,5-tetrazine-6-carboxylate Traditional Name: 2-benzoyl-4-(4-chlorophenyl)-1-methyl-3-phenyl-3H-1,2,4,5-tetrazine-6-carboxylic acid ethyl ester Formula: C25H23ClN4O3 MolecularWeight: 462.92812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(N(N1C)C(=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=NN(C(N(N1C)C(=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H23ClN4O3/c1-3-33-25(32)22-27-29(21-16-14-20(26)15-17-21)23(18-10-6-4-7-11-18)30(28(22)2)24(31)19-12-8-5-9-13-19/h4-17,23H,3H2,1-2H3