ethyl (3R)-3-(4-dimethylaminophenyl)-2-ethanoyl-1-methyl-4-phenyl-3H-1,2,4,5-tetrazine-6-carboxylate

Systemtic Name: ethyl (3R)-3-(4-dimethylaminophenyl)-2-ethanoyl-1-methyl-4-phenyl-3H-1,2,4,5-tetrazine-6-carboxylate Openeye Name: ethyl (3R)-2-acetyl-3-(4-dimethylaminophenyl)-1-methyl-4-phenyl-3H-1,2,4,5-tetrazine-6-carboxylate CAS Name: (3R)-2-acetyl-3-(4-dimethylaminophenyl)-1-methyl-4-phenyl-3H-1,2,4,5-tetrazine-6-carboxylic acid ethyl ester IUPAC Name: ethyl (3R)-2-acetyl-3-(4-dimethylaminophenyl)-1-methyl-4-phenyl-3H-1,2,4,5-tetrazine-6-carboxylate Traditional Name: (3R)-2-acetyl-3-(4-dimethylaminophenyl)-1-methyl-4-phenyl-3H-1,2,4,5-tetrazine-6-carboxylic acid ethyl ester Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=NN([C@H](N(N1C)C(=O)C)C2=CC=C(C=C2)N(C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H27N5O3/c1-6-30-22(29)20-23-26(19-10-8-7-9-11-19)21(27(16(2)28)25(20)5)17-12-14-18(15-13-17)24(3)4/h7-15,21H,6H2,1-5H3/t21-/m1/s1