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

Systemtic Name: 1-(2-methylpropyl)-4-(3-pyrazin-2-ylpropanoyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-isobutyl-4-(3-pyrazin-2-ylpropanoyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-(2-methylpropyl)-4-[1-oxo-3-(2-pyrazinyl)propyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-(2-methylpropyl)-4-(3-pyrazin-2-ylpropanoyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-isobutyl-4-(3-pyrazin-2-ylpropanoyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(CN(CC1=O)C(=O)CCC2=NC=CN=C2)OCC3=CN=CC=C3

Isomeric SMILES

CC(C)CN1CC(CN(CC1=O)C(=O)CCC2=NC=CN=C2)OCC3=CN=CC=C3

InChI

InChI=1S/C22H29N5O3/c1-17(2)12-26-13-20(30-16-18-4-3-7-23-10-18)14-27(15-22(26)29)21(28)6-5-19-11-24-8-9-25-19/h3-4,7-11,17,20H,5-6,12-16H2,1-2H3