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

Systemtic Name: 1-(2-methylpropyl)-4-(3-phenoxypropanoyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-isobutyl-4-(3-phenoxypropanoyl)-6-(2-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-(2-methylpropyl)-4-(1-oxo-3-phenoxypropyl)-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-(2-methylpropyl)-4-(3-phenoxypropanoyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-isobutyl-4-(3-phenoxypropanoyl)-6-(2-pyridylmethoxy)-1,4-diazepan-2-one Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(CN(CC1=O)C(=O)CCOC2=CC=CC=C2)OCC3=CC=CC=N3

Isomeric SMILES

CC(C)CN1CC(CN(CC1=O)C(=O)CCOC2=CC=CC=C2)OCC3=CC=CC=N3

InChI

InChI=1S/C24H31N3O4/c1-19(2)14-26-15-22(31-18-20-8-6-7-12-25-20)16-27(17-24(26)29)23(28)11-13-30-21-9-4-3-5-10-21/h3-10,12,19,22H,11,13-18H2,1-2H3