4-[[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1,4-diazacyclotetradecan-2-one

Systemtic Name: 4-[[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1,4-diazacyclotetradecan-2-one Openeye Name: 4-[[4-[[methyl(2-pyridylmethyl)amino]methyl]phenyl]methyl]-1,4-diazacyclotetradecan-2-one CAS Name: 4-[[4-[[methyl(2-pyridinylmethyl)amino]methyl]phenyl]methyl]-1,4-diazacyclotetradecan-2-one IUPAC Name: 4-[[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1,4-diazacyclotetradecan-2-one Traditional Name: 4-[4-[[methyl(2-pyridylmethyl)amino]methyl]benzyl]-1,4-diazacyclotetradecan-2-one Formula: C27H40N4O MolecularWeight: 436.6327

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)CN2CCCCCCCCCCNC(=O)C2)CC3=CC=CC=N3

Isomeric SMILES

CN(CC1=CC=C(C=C1)CN2CCCCCCCCCCNC(=O)C2)CC3=CC=CC=N3

InChI

InChI=1S/C27H40N4O/c1-30(22-26-12-8-10-17-28-26)20-24-13-15-25(16-14-24)21-31-19-11-7-5-3-2-4-6-9-18-29-27(32)23-31/h8,10,12-17H,2-7,9,11,18-23H2,1H3,(H,29,32)