1,11-bis[1-(phenylmethyl)imidazol-2-yl]undecane-2,6,10-triamine

Systemtic Name: 1,11-bis[1-(phenylmethyl)imidazol-2-yl]undecane-2,6,10-triamine Openeye Name: 1,11-bis(1-benzylimidazol-2-yl)undecane-2,6,10-triamine CAS Name: 1,11-bis[1-(phenylmethyl)-2-imidazolyl]undecane-2,6,10-triamine IUPAC Name: 1,11-bis(1-benzylimidazol-2-yl)undecane-2,6,10-triamine Traditional Name: [5-amino-1-[4-amino-5-(1-benzylimidazol-2-yl)pentyl]-6-(1-benzylimidazol-2-yl)hexyl]amine Formula: C31H43N7 MolecularWeight: 513.72002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CN=C2CC(CCCC(CCCC(CC3=NC=CN3CC4=CC=CC=C4)N)N)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CN=C2CC(CCCC(CCCC(CC3=NC=CN3CC4=CC=CC=C4)N)N)N

InChI

InChI=1S/C31H43N7/c32-27(13-7-15-28(33)21-30-35-17-19-37(30)23-25-9-3-1-4-10-25)14-8-16-29(34)22-31-36-18-20-38(31)24-26-11-5-2-6-12-26/h1-6,9-12,17-20,27-29H,7-8,13-16,21-24,32-34H2