ethyl 4-[6-methoxy-3-oxidanylidene-4-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-1,4-diazepan-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[6-methoxy-3-oxidanylidene-4-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-1,4-diazepan-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[6-methoxy-3-oxo-4-[3-(2-oxopyrrolidin-1-yl)propyl]-1,4-diazepan-1-yl]piperidine-1-carboxylate CAS Name: 4-[6-methoxy-3-oxo-4-[3-(2-oxo-1-pyrrolidinyl)propyl]-1,4-diazepan-1-yl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-methoxy-3-oxo-4-[3-(2-oxopyrrolidin-1-yl)propyl]-1,4-diazepan-1-yl]piperidine-1-carboxylate Traditional Name: 4-[3-keto-4-[3-(2-ketopyrrolidino)propyl]-6-methoxy-1,4-diazepan-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C21H36N4O5 MolecularWeight: 424.53434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2CC(CN(C(=O)C2)CCCN3CCCC3=O)OC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2CC(CN(C(=O)C2)CCCN3CCCC3=O)OC

InChI

InChI=1S/C21H36N4O5/c1-3-30-21(28)23-12-7-17(8-13-23)25-15-18(29-2)14-24(20(27)16-25)11-5-10-22-9-4-6-19(22)26/h17-18H,3-16H2,1-2H3