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

Systemtic Name: N-methyl-N-(pyridin-2-ylmethyl)-1-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methanamine Openeye Name: N-methyl-N-(2-pyridylmethyl)-1-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methanamine CAS Name: N-methyl-N-(2-pyridinylmethyl)-1-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methanamine IUPAC Name: N-methyl-N-(pyridin-2-ylmethyl)-1-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methanamine Traditional Name: methyl-(2-pyridylmethyl)-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzyl]amine Formula: C25H40N6 MolecularWeight: 424.6253

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)CN2CCCNCCNCCCNCC2)CC3=CC=CC=N3

Isomeric SMILES

CN(CC1=CC=C(C=C1)CN2CCCNCCNCCCNCC2)CC3=CC=CC=N3

InChI

InChI=1S/C25H40N6/c1-30(22-25-6-2-3-14-29-25)20-23-7-9-24(10-8-23)21-31-18-5-13-27-16-15-26-11-4-12-28-17-19-31/h2-3,6-10,14,26-28H,4-5,11-13,15-22H2,1H3