ethyl 4-[4-(2-methylpropyl)-3-oxidanylidene-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-(2-methylpropyl)-3-oxidanylidene-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-isobutyl-3-oxo-6-(4-pyridylmethoxy)-1,4-diazepan-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-(2-methylpropyl)-3-oxo-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-methylpropyl)-3-oxo-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-isobutyl-3-keto-6-(4-pyridylmethoxy)-1,4-diazepan-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C23H36N4O4 MolecularWeight: 432.55634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2CC(CN(C(=O)C2)CC(C)C)OCC3=CC=NC=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2CC(CN(C(=O)C2)CC(C)C)OCC3=CC=NC=C3

InChI

InChI=1S/C23H36N4O4/c1-4-30-23(29)25-11-7-20(8-12-25)26-14-21(31-17-19-5-9-24-10-6-19)15-27(13-18(2)3)22(28)16-26/h5-6,9-10,18,20-21H,4,7-8,11-17H2,1-3H3