1-(2-methylpropyl)-4-[3-(5-methylpyrazol-1-yl)propanoyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-(2-methylpropyl)-4-[3-(5-methylpyrazol-1-yl)propanoyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-isobutyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-6-(2-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-(2-methylpropyl)-4-[3-(5-methyl-1-pyrazolyl)-1-oxopropyl]-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-(2-methylpropyl)-4-[3-(5-methylpyrazol-1-yl)propanoyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-isobutyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-6-(2-pyridylmethoxy)-1,4-diazepan-2-one Formula: C22H31N5O3 MolecularWeight: 413.51324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1CCC(=O)N2CC(CN(C(=O)C2)CC(C)C)OCC3=CC=CC=N3

Isomeric SMILES

CC1=CC=NN1CCC(=O)N2CC(CN(C(=O)C2)CC(C)C)OCC3=CC=CC=N3

InChI

InChI=1S/C22H31N5O3/c1-17(2)12-25-13-20(30-16-19-6-4-5-9-23-19)14-26(15-22(25)29)21(28)8-11-27-18(3)7-10-24-27/h4-7,9-10,17,20H,8,11-16H2,1-3H3