1-(phenylmethyl)-4-(3-pyrazol-1-ylpropanoyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-(phenylmethyl)-4-(3-pyrazol-1-ylpropanoyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-benzyl-4-(3-pyrazol-1-ylpropanoyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[1-oxo-3-(1-pyrazolyl)propyl]-1-(phenylmethyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-benzyl-4-(3-pyrazol-1-ylpropanoyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-benzyl-4-(3-pyrazol-1-ylpropanoyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)CN1C(=O)CCN2C=CC=N2)CC3=CC=CC=C3)OCC4=CN=CC=C4

Isomeric SMILES

C1C(CN(C(=O)CN1C(=O)CCN2C=CC=N2)CC3=CC=CC=C3)OCC4=CN=CC=C4

InChI

InChI=1S/C24H27N5O3/c30-23(9-13-29-12-5-11-26-29)28-17-22(32-19-21-8-4-10-25-14-21)16-27(24(31)18-28)15-20-6-2-1-3-7-20/h1-8,10-12,14,22H,9,13,15-19H2