N-(pyridin-2-ylmethyl)-1-[3-(1,4,7-triazacyclotetradec-4-ylmethyl)phenyl]methanamine

Systemtic Name: N-(pyridin-2-ylmethyl)-1-[3-(1,4,7-triazacyclotetradec-4-ylmethyl)phenyl]methanamine Openeye Name: N-(2-pyridylmethyl)-1-[3-(1,4,7-triazacyclotetradec-4-ylmethyl)phenyl]methanamine CAS Name: N-(2-pyridinylmethyl)-1-[3-(1,4,7-triazacyclotetradec-4-ylmethyl)phenyl]methanamine IUPAC Name: N-(pyridin-2-ylmethyl)-1-[3-(1,4,7-triazacyclotetradec-4-ylmethyl)phenyl]methanamine Traditional Name: 2-pyridylmethyl-[3-(1,4,7-triazacyclotetradec-4-ylmethyl)benzyl]amine Formula: C25H39N5 MolecularWeight: 409.61066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCNCCN(CCNCCC1)CC2=CC(=CC=C2)CNCC3=CC=CC=N3

Isomeric SMILES

C1CCCNCCN(CCNCCC1)CC2=CC(=CC=C2)CNCC3=CC=CC=N3

InChI

InChI=1S/C25H39N5/c1-2-5-12-26-15-17-30(18-16-27-13-6-3-1)22-24-10-8-9-23(19-24)20-28-21-25-11-4-7-14-29-25/h4,7-11,14,19,26-28H,1-3,5-6,12-13,15-18,20-22H2