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

Systemtic Name: N-(pyridin-2-ylmethyl)-2-[4-(1,4,7-triazacyclotetradec-4-ylmethyl)phenyl]ethanamine Openeye Name: N-(2-pyridylmethyl)-2-[4-(1,4,7-triazacyclotetradec-4-ylmethyl)phenyl]ethanamine CAS Name: N-(2-pyridinylmethyl)-2-[4-(1,4,7-triazacyclotetradec-4-ylmethyl)phenyl]ethanamine IUPAC Name: N-(pyridin-2-ylmethyl)-2-[4-(1,4,7-triazacyclotetradec-4-ylmethyl)phenyl]ethanamine Traditional Name: 2-pyridylmethyl-[2-[4-(1,4,7-triazacyclotetradec-4-ylmethyl)phenyl]ethyl]amine Formula: C26H41N5 MolecularWeight: 423.63724

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCNCCN(CCNCCC1)CC2=CC=C(C=C2)CCNCC3=CC=CC=N3

Isomeric SMILES

C1CCCNCCN(CCNCCC1)CC2=CC=C(C=C2)CCNCC3=CC=CC=N3

InChI

InChI=1S/C26H41N5/c1-2-5-14-27-18-20-31(21-19-28-15-6-3-1)23-25-11-9-24(10-12-25)13-17-29-22-26-8-4-7-16-30-26/h4,7-12,16,27-29H,1-3,5-6,13-15,17-23H2