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

Systemtic Name: 1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-4-(thiolan-3-yl)-1,4-diazepan-2-one Openeye Name: 1-[(1-methylpyrazol-4-yl)methyl]-6-(4-pyridylmethoxy)-4-tetrahydrothiophen-3-yl-1,4-diazepan-2-one CAS Name: 1-[(1-methyl-4-pyrazolyl)methyl]-6-(pyridin-4-ylmethoxy)-4-(3-thiolanyl)-1,4-diazepan-2-one IUPAC Name: 1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-4-(thiolan-3-yl)-1,4-diazepan-2-one Traditional Name: 1-[(1-methylpyrazol-4-yl)methyl]-6-(4-pyridylmethoxy)-4-tetrahydrothiophen-3-yl-1,4-diazepan-2-one Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2CC(CN(CC2=O)C3CCSC3)OCC4=CC=NC=C4

Isomeric SMILES

CN1C=C(C=N1)CN2CC(CN(CC2=O)C3CCSC3)OCC4=CC=NC=C4

InChI

InChI=1S/C20H27N5O2S/c1-23-9-17(8-22-23)10-25-12-19(27-14-16-2-5-21-6-3-16)11-24(13-20(25)26)18-4-7-28-15-18/h2-3,5-6,8-9,18-19H,4,7,10-15H2,1H3