N-(pyridin-2-ylmethyl)-1-[3-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methanamine

Systemtic Name: N-(pyridin-2-ylmethyl)-1-[3-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methanamine Openeye Name: N-(2-pyridylmethyl)-1-[3-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methanamine CAS Name: N-(2-pyridinylmethyl)-1-[3-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methanamine IUPAC Name: N-(pyridin-2-ylmethyl)-1-[3-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methanamine Traditional Name: 2-pyridylmethyl-[3-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzyl]amine Formula: C24H38N6 MolecularWeight: 410.59872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCCCN(CCNC1)CC2=CC(=CC=C2)CNCC3=CC=CC=N3

Isomeric SMILES

C1CNCCNCCCN(CCNC1)CC2=CC(=CC=C2)CNCC3=CC=CC=N3

InChI

InChI=1S/C24H38N6/c1-2-12-29-24(8-1)20-28-19-22-6-3-7-23(18-22)21-30-16-5-11-26-14-13-25-9-4-10-27-15-17-30/h1-3,6-8,12,18,25-28H,4-5,9-11,13-17,19-21H2