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

Systemtic Name: 1-(2-methylpropyl)-4-(2-phenoxyethanoyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-isobutyl-4-(2-phenoxyacetyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-(2-methylpropyl)-4-(1-oxo-2-phenoxyethyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-(2-methylpropyl)-4-(2-phenoxyacetyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-isobutyl-4-(2-phenoxyacetyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(CN(CC1=O)C(=O)COC2=CC=CC=C2)OCC3=CN=CC=C3

Isomeric SMILES

CC(C)CN1CC(CN(CC1=O)C(=O)COC2=CC=CC=C2)OCC3=CN=CC=C3

InChI

InChI=1S/C23H29N3O4/c1-18(2)12-25-13-21(29-16-19-7-6-10-24-11-19)14-26(15-22(25)27)23(28)17-30-20-8-4-3-5-9-20/h3-11,18,21H,12-17H2,1-2H3