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

Systemtic Name: 3,6-dimethyl-N1,N4-bis(2-methylphenyl)-1,2,4,5-tetrazine-1,4-dicarboxamide Openeye Name: 3,6-dimethyl-N1,N4-bis(o-tolyl)-1,2,4,5-tetrazine-1,4-dicarboxamide CAS Name: 3,6-dimethyl-N1,N4-bis(2-methylphenyl)-1,2,4,5-tetrazine-1,4-dicarboxamide IUPAC Name: 3,6-dimethyl-1-N,4-N-bis(2-methylphenyl)-1,2,4,5-tetrazine-1,4-dicarboxamide Traditional Name: 3,6-dimethyl-N,N'-bis(o-tolyl)-1,2,4,5-tetrazine-1,4-dicarboxamide Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)N2C(=NN(C(=N2)C)C(=O)NC3=CC=CC=C3C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)N2C(=NN(C(=N2)C)C(=O)NC3=CC=CC=C3C)C

InChI

InChI=1S/C20H22N6O2/c1-13-9-5-7-11-17(13)21-19(27)25-15(3)24-26(16(4)23-25)20(28)22-18-12-8-6-10-14(18)2/h5-12H,1-4H3,(H,21,27)(H,22,28)