3,6-bis(2-chloranylcyclohexen-1-yl)-2-(phenylmethyl)-1H-1,2,4,5-tetrazine

Systemtic Name: 3,6-bis(2-chloranylcyclohexen-1-yl)-2-(phenylmethyl)-1H-1,2,4,5-tetrazine Openeye Name: 2-benzyl-3,6-bis(2-chlorocyclohexen-1-yl)-1H-1,2,4,5-tetrazine CAS Name: 3,6-bis(2-chloro-1-cyclohexenyl)-2-(phenylmethyl)-1H-1,2,4,5-tetrazine IUPAC Name: 2-benzyl-3,6-bis(2-chlorocyclohexen-1-yl)-1H-1,2,4,5-tetrazine Traditional Name: 2-benzyl-3,6-bis(2-chlorocyclohexen-1-yl)-1H-1,2,4,5-tetrazine Formula: C21H24Cl2N4 MolecularWeight: 403.34806

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C1)C2=NN=C(N(N2)CC3=CC=CC=C3)C4=C(CCCC4)Cl)Cl

Isomeric SMILES

C1CCC(=C(C1)C2=NN=C(N(N2)CC3=CC=CC=C3)C4=C(CCCC4)Cl)Cl

InChI

InChI=1S/C21H24Cl2N4/c22-18-12-6-4-10-16(18)20-24-25-21(17-11-5-7-13-19(17)23)27(26-20)14-15-8-2-1-3-9-15/h1-3,8-9H,4-7,10-14H2,(H,24,26)