1-[[4-(1-azacyclotridec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane

Systemtic Name: 1-[[4-(1-azacyclotridec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane Openeye Name: 1-[[4-(azacyclotridec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane CAS Name: 1-[[4-(azacyclotridec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane IUPAC Name: 1-[[4-(azacyclotridec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane Traditional Name: 1-[4-(azacyclotridec-1-ylmethyl)benzyl]-1,4,8,11-tetrazacyclotetradecane Formula: C30H55N5 MolecularWeight: 485.7912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCCN(CCCCC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3

Isomeric SMILES

C1CCCCCCN(CCCCC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3

InChI

InChI=1S/C30H55N5/c1-2-4-6-8-10-24-34(23-9-7-5-3-1)27-29-13-15-30(16-14-29)28-35-25-12-19-32-21-20-31-17-11-18-33-22-26-35/h13-16,31-33H,1-12,17-28H2