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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=NN1C(=O)NCC2=CC=CC=C2)C)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=NN1C(=O)NCC2=CC=CC=C2)C)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H22N6O2/c1-15-23-26(20(28)22-14-18-11-7-4-8-12-18)16(2)24-25(15)19(27)21-13-17-9-5-3-6-10-17/h3-12H,13-14H2,1-2H3,(H,21,27)(H,22,28)