1-[[4-(1,5,9-triazacyclododec-1-ylmethyl)phenyl]methyl]-1,5,9-triazacyclododecane

Systemtic Name: 1-[[4-(1,5,9-triazacyclododec-1-ylmethyl)phenyl]methyl]-1,5,9-triazacyclododecane Openeye Name: 1-[[4-(1,5,9-triazacyclododec-1-ylmethyl)phenyl]methyl]-1,5,9-triazacyclododecane CAS Name: 1-[[4-(1,5,9-triazacyclododec-1-ylmethyl)phenyl]methyl]-1,5,9-triazacyclododecane IUPAC Name: 1-[[4-(1,5,9-triazacyclododec-1-ylmethyl)phenyl]methyl]-1,5,9-triazacyclododecane Traditional Name: 1-[4-(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=C(C=C2)CN3CCCNCCCNCCC3

Isomeric SMILES

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

InChI

InChI=1S/C26H48N6/c1-11-27-15-3-19-31(20-4-16-28-12-1)23-25-7-9-26(10-8-25)24-32-21-5-17-29-13-2-14-30-18-6-22-32/h7-10,27-30H,1-6,11-24H2