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

Systemtic Name: N-(pyridin-2-ylmethyl)-1-[4-(1,4,7-triazacyclotetradec-4-ylmethyl)phenyl]methanamine Openeye Name: N-(2-pyridylmethyl)-1-[4-(1,4,7-triazacyclotetradec-4-ylmethyl)phenyl]methanamine CAS Name: N-(2-pyridinylmethyl)-1-[4-(1,4,7-triazacyclotetradec-4-ylmethyl)phenyl]methanamine IUPAC Name: N-(pyridin-2-ylmethyl)-1-[4-(1,4,7-triazacyclotetradec-4-ylmethyl)phenyl]methanamine Traditional Name: 2-pyridylmethyl-[4-(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=C(C=C2)CNCC3=CC=CC=N3

Isomeric SMILES

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

InChI

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