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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=NN1C(=O)NC2=CC=CC(=C2)C)CC)C(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

CCC1=NN(C(=NN1C(=O)NC2=CC=CC(=C2)C)CC)C(=O)NC3=CC=CC(=C3)C

InChI

InChI=1S/C22H26N6O2/c1-5-19-25-28(22(30)24-18-12-8-10-16(4)14-18)20(6-2)26-27(19)21(29)23-17-11-7-9-15(3)13-17/h7-14H,5-6H2,1-4H3,(H,23,29)(H,24,30)