1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-4-(2-thiophen-2-ylethanoyl)-1,4-diazepan-2-one

Systemtic Name: 1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-4-(2-thiophen-2-ylethanoyl)-1,4-diazepan-2-one Openeye Name: 1-[(1-methylpyrazol-4-yl)methyl]-6-(4-pyridylmethoxy)-4-[2-(2-thienyl)acetyl]-1,4-diazepan-2-one CAS Name: 1-[(1-methyl-4-pyrazolyl)methyl]-4-(1-oxo-2-thiophen-2-ylethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-4-(2-thiophen-2-ylacetyl)-1,4-diazepan-2-one Traditional Name: 1-[(1-methylpyrazol-4-yl)methyl]-6-(4-pyridylmethoxy)-4-[2-(2-thienyl)acetyl]-1,4-diazepan-2-one Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2CC(CN(CC2=O)C(=O)CC3=CC=CS3)OCC4=CC=NC=C4

Isomeric SMILES

CN1C=C(C=N1)CN2CC(CN(CC2=O)C(=O)CC3=CC=CS3)OCC4=CC=NC=C4

InChI

InChI=1S/C22H25N5O3S/c1-25-11-18(10-24-25)12-26-13-19(30-16-17-4-6-23-7-5-17)14-27(15-22(26)29)21(28)9-20-3-2-8-31-20/h2-8,10-11,19H,9,12-16H2,1H3