1-[[4-(benzotriazol-1-ylmethyl)piperazin-1-yl]methyl]benzotriazole

Systemtic Name: 1-[[4-(benzotriazol-1-ylmethyl)piperazin-1-yl]methyl]benzotriazole Openeye Name: 1-[[4-(benzotriazol-1-ylmethyl)piperazin-1-yl]methyl]benzotriazole CAS Name: 1-[[4-(1-benzotriazolylmethyl)-1-piperazinyl]methyl]benzotriazole IUPAC Name: 1-[[4-(benzotriazol-1-ylmethyl)piperazin-1-yl]methyl]benzotriazole Traditional Name: 1-[[4-(benzotriazol-1-ylmethyl)piperazino]methyl]benzotriazole Formula: C36H40N16 MolecularWeight: 696.81

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C3=CC=CC=C3N=N2)CN4C5=CC=CC=C5N=N4.C1CN(CCN1CN2C3=CC=CC=C3N=N2)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CCN1CN2C3=CC=CC=C3N=N2)CN4C5=CC=CC=C5N=N4.C1CN(CCN1CN2C3=CC=CC=C3N=N2)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/2C18H20N8/c2*1-3-7-17-15(5-1)19-21-25(17)13-23-9-11-24(12-10-23)14-26-18-8-4-2-6-16(18)20-22-26/h2*1-8H,9-14H2