4-(2-methylfuran-3-yl)carbonyl-1-(2-methylpropyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-(2-methylfuran-3-yl)carbonyl-1-(2-methylpropyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-isobutyl-4-(2-methylfuran-3-carbonyl)-6-(2-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[(2-methyl-3-furanyl)-oxomethyl]-1-(2-methylpropyl)-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-(2-methylfuran-3-carbonyl)-1-(2-methylpropyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-isobutyl-4-(2-methyl-3-furoyl)-6-(2-pyridylmethoxy)-1,4-diazepan-2-one Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)N2CC(CN(C(=O)C2)CC(C)C)OCC3=CC=CC=N3

Isomeric SMILES

CC1=C(C=CO1)C(=O)N2CC(CN(C(=O)C2)CC(C)C)OCC3=CC=CC=N3

InChI

InChI=1S/C21H27N3O4/c1-15(2)10-23-11-18(28-14-17-6-4-5-8-22-17)12-24(13-20(23)25)21(26)19-7-9-27-16(19)3/h4-9,15,18H,10-14H2,1-3H3