1-[[3-(1,5,9-triazacyclododec-1-ylmethyl)phenyl]methyl]-1,5,9-triazacyclododecane

Systemtic Name: 1-[[3-(1,5,9-triazacyclododec-1-ylmethyl)phenyl]methyl]-1,5,9-triazacyclododecane Openeye Name: 1-[[3-(1,5,9-triazacyclododec-1-ylmethyl)phenyl]methyl]-1,5,9-triazacyclododecane CAS Name: 1-[[3-(1,5,9-triazacyclododec-1-ylmethyl)phenyl]methyl]-1,5,9-triazacyclododecane IUPAC Name: 1-[[3-(1,5,9-triazacyclododec-1-ylmethyl)phenyl]methyl]-1,5,9-triazacyclododecane Traditional Name: 1-[3-(1,5,9-triazacyclododec-1-ylmethyl)benzyl]-1,5,9-triazacyclododecane Formula: C26H48N6 MolecularWeight: 444.69952

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCCN(CCCNC1)CC2=CC(=CC=C2)CN3CCCNCCCNCCC3

Isomeric SMILES

C1CNCCCN(CCCNC1)CC2=CC(=CC=C2)CN3CCCNCCCNCCC3

InChI

InChI=1S/C26H48N6/c1-8-25(23-31-18-4-14-27-10-2-11-28-15-5-19-31)22-26(9-1)24-32-20-6-16-29-12-3-13-30-17-7-21-32/h1,8-9,22,27-30H,2-7,10-21,23-24H2