1-cyclohexyl-4-[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonyl-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-4-[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonyl-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-cyclohexyl-4-[(2S)-5-oxopyrrolidine-2-carbonyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-4-[(2S)-5-oxopyrrolidine-2-carbonyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-cyclohexyl-4-[(2S)-5-ketoprolyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)C3CCC(=O)N3)OCC4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)[C@@H]3CCC(=O)N3)OCC4=CN=CC=C4

InChI

InChI=1S/C22H30N4O4/c27-20-9-8-19(24-20)22(29)25-12-18(30-15-16-5-4-10-23-11-16)13-26(21(28)14-25)17-6-2-1-3-7-17/h4-5,10-11,17-19H,1-3,6-9,12-15H2,(H,24,27)/t18?,19-/m0/s1