5-[[4-(1,5,9-triazacyclotetradec-5-ylmethyl)phenyl]methyl]-1,5,9-triazacyclotetradecane

Systemtic Name: 5-[[4-(1,5,9-triazacyclotetradec-5-ylmethyl)phenyl]methyl]-1,5,9-triazacyclotetradecane Openeye Name: 5-[[4-(1,5,9-triazacyclotetradec-5-ylmethyl)phenyl]methyl]-1,5,9-triazacyclotetradecane CAS Name: 5-[[4-(1,5,9-triazacyclotetradec-5-ylmethyl)phenyl]methyl]-1,5,9-triazacyclotetradecane IUPAC Name: 5-[[4-(1,5,9-triazacyclotetradec-5-ylmethyl)phenyl]methyl]-1,5,9-triazacyclotetradecane Traditional Name: 5-[4-(1,5,9-triazacyclotetradec-5-ylmethyl)benzyl]-1,5,9-triazacyclotetradecane Formula: C30H56N6 MolecularWeight: 500.80584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNCCCN(CCCNCC1)CC2=CC=C(C=C2)CN3CCCNCCCCCNCCC3

Isomeric SMILES

C1CCNCCCN(CCCNCC1)CC2=CC=C(C=C2)CN3CCCNCCCCCNCCC3

InChI

InChI=1S/C30H56N6/c1-3-15-31-19-7-23-35(24-8-20-32-16-4-1)27-29-11-13-30(14-12-29)28-36-25-9-21-33-17-5-2-6-18-34-22-10-26-36/h11-14,31-34H,1-10,15-28H2