1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-4-(2-thiophen-3-ylethanoyl)-1,4-diazepan-2-one

Systemtic Name: 1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-4-(2-thiophen-3-ylethanoyl)-1,4-diazepan-2-one Openeye Name: 1-[(1-methylpyrazol-4-yl)methyl]-6-(4-pyridylmethoxy)-4-[2-(3-thienyl)acetyl]-1,4-diazepan-2-one CAS Name: 1-[(1-methyl-4-pyrazolyl)methyl]-4-[1-oxo-2-(3-thiophenyl)ethyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-4-(2-thiophen-3-ylacetyl)-1,4-diazepan-2-one Traditional Name: 1-[(1-methylpyrazol-4-yl)methyl]-6-(4-pyridylmethoxy)-4-[2-(3-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=CSC=C3)OCC4=CC=NC=C4

Isomeric SMILES

CN1C=C(C=N1)CN2CC(CN(CC2=O)C(=O)CC3=CSC=C3)OCC4=CC=NC=C4

InChI

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