ethyl 6-[[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]carbonylamino]hexanoate

Systemtic Name: ethyl 6-[[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]carbonylamino]hexanoate Openeye Name: ethyl 6-[[4-(2-pyridylmethyl)-1,4-diazepane-1-carbonyl]amino]hexanoate CAS Name: 6-[[oxo-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]methyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[[4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbonyl]amino]hexanoate Traditional Name: 6-[[4-(2-pyridylmethyl)-1,4-diazepane-1-carbonyl]amino]hexanoic acid ethyl ester Formula: C20H32N4O3 MolecularWeight: 376.49308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCNC(=O)N1CCCN(CC1)CC2=CC=CC=N2

Isomeric SMILES

CCOC(=O)CCCCCNC(=O)N1CCCN(CC1)CC2=CC=CC=N2

InChI

InChI=1S/C20H32N4O3/c1-2-27-19(25)10-4-3-6-12-22-20(26)24-14-8-13-23(15-16-24)17-18-9-5-7-11-21-18/h5,7,9,11H,2-4,6,8,10,12-17H2,1H3,(H,22,26)