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

Systemtic Name: ethyl 6-[[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]carbonylamino]hexanoate Openeye Name: ethyl 6-[[4-(4-pyridylmethyl)-1,4-diazepane-1-carbonyl]amino]hexanoate CAS Name: 6-[[oxo-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[[4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbonyl]amino]hexanoate Traditional Name: 6-[[4-(4-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=NC=C2

Isomeric SMILES

CCOC(=O)CCCCCNC(=O)N1CCCN(CC1)CC2=CC=NC=C2

InChI

InChI=1S/C20H32N4O3/c1-2-27-19(25)7-4-3-5-10-22-20(26)24-14-6-13-23(15-16-24)17-18-8-11-21-12-9-18/h8-9,11-12H,2-7,10,13-17H2,1H3,(H,22,26)