N1,N4-bis(3,5-dimethylphenyl)-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide

Systemtic Name: N1,N4-bis(3,5-dimethylphenyl)-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide Openeye Name: N1,N4-bis(3,5-dimethylphenyl)-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide CAS Name: N1,N4-bis(3,5-dimethylphenyl)-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis(3,5-dimethylphenyl)-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide Traditional Name: N,N'-bis(3,5-dimethylphenyl)-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)N2C(=NN(C(=N2)C)C(=O)NC3=CC(=CC(=C3)C)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)N2C(=NN(C(=N2)C)C(=O)NC3=CC(=CC(=C3)C)C)C)C

InChI

InChI=1S/C22H26N6O2/c1-13-7-14(2)10-19(9-13)23-21(29)27-17(5)26-28(18(6)25-27)22(30)24-20-11-15(3)8-16(4)12-20/h7-12H,1-6H3,(H,23,29)(H,24,30)