1-(2-methylpropyl)-6-(pyridin-3-ylmethoxy)-4-(3-thiophen-2-ylpropanoyl)-1,4-diazepan-2-one

Systemtic Name: 1-(2-methylpropyl)-6-(pyridin-3-ylmethoxy)-4-(3-thiophen-2-ylpropanoyl)-1,4-diazepan-2-one Openeye Name: 1-isobutyl-6-(3-pyridylmethoxy)-4-[3-(2-thienyl)propanoyl]-1,4-diazepan-2-one CAS Name: 1-(2-methylpropyl)-4-(1-oxo-3-thiophen-2-ylpropyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-(2-methylpropyl)-6-(pyridin-3-ylmethoxy)-4-(3-thiophen-2-ylpropanoyl)-1,4-diazepan-2-one Traditional Name: 1-isobutyl-6-(3-pyridylmethoxy)-4-[3-(2-thienyl)propanoyl]-1,4-diazepan-2-one Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(CN(CC1=O)C(=O)CCC2=CC=CS2)OCC3=CN=CC=C3

Isomeric SMILES

CC(C)CN1CC(CN(CC1=O)C(=O)CCC2=CC=CS2)OCC3=CN=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-17(2)12-24-13-19(28-16-18-5-3-9-23-11-18)14-25(15-22(24)27)21(26)8-7-20-6-4-10-29-20/h3-6,9-11,17,19H,7-8,12-16H2,1-2H3