1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]benzimidazole-2-carboximidamide

Systemtic Name: 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]benzimidazole-2-carboximidamide Openeye Name: 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]benzimidazole-2-carboxamidine CAS Name: 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-2-benzimidazolecarboximidamide IUPAC Name: 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]benzimidazole-2-carboximidamide Traditional Name: 1-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzyl]benzimidazole-2-carboxamidine Formula: C26H38N8 MolecularWeight: 462.63352

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3C4=CC=CC=C4N=C3C(=N)N

Isomeric SMILES

C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3C4=CC=CC=C4N=C3C(=N)N

InChI

InChI=1S/C26H38N8/c27-25(28)26-32-23-5-1-2-6-24(23)34(26)20-22-9-7-21(8-10-22)19-33-17-4-13-30-15-14-29-11-3-12-31-16-18-33/h1-2,5-10,29-31H,3-4,11-20H2,(H3,27,28)