4-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-1,4,7-triazacyclotetradecan-2-one

Systemtic Name: 4-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-1,4,7-triazacyclotetradecan-2-one Openeye Name: 4-[[4-[(2-pyridylmethylamino)methyl]phenyl]methyl]-1,4,7-triazacyclotetradecan-2-one CAS Name: 4-[[4-[(2-pyridinylmethylamino)methyl]phenyl]methyl]-1,4,7-triazacyclotetradecan-2-one IUPAC Name: 4-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-1,4,7-triazacyclotetradecan-2-one Traditional Name: 4-[4-[(2-pyridylmethylamino)methyl]benzyl]-1,4,7-triazacyclotetradecan-2-one Formula: C25H37N5O MolecularWeight: 423.59418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCNCCN(CC(=O)NCCC1)CC2=CC=C(C=C2)CNCC3=CC=CC=N3

Isomeric SMILES

C1CCCNCCN(CC(=O)NCCC1)CC2=CC=C(C=C2)CNCC3=CC=CC=N3

InChI

InChI=1S/C25H37N5O/c31-25-21-30(17-16-26-13-5-2-1-3-6-15-29-25)20-23-11-9-22(10-12-23)18-27-19-24-8-4-7-14-28-24/h4,7-12,14,26-27H,1-3,5-6,13,15-21H2,(H,29,31)