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

Systemtic Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-(2-methylsulfanylpyridin-3-yl)carbonyl-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-(2-methylsulfanylpyridine-3-carbonyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-[(1-methyl-4-pyrazolyl)methyl]-4-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-(2-methylsulfanylpyridine-3-carbonyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(methylthio)nicotinoyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C23H26N6O3S MolecularWeight: 466.55594

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2CC(CN(CC2=O)C(=O)C3=C(N=CC=C3)SC)OCC4=CN=CC=C4

Isomeric SMILES

CN1C=C(C=N1)CN2CC(CN(CC2=O)C(=O)C3=C(N=CC=C3)SC)OCC4=CN=CC=C4

InChI

InChI=1S/C23H26N6O3S/c1-27-11-18(10-26-27)12-28-13-19(32-16-17-5-3-7-24-9-17)14-29(15-21(28)30)23(31)20-6-4-8-25-22(20)33-2/h3-11,19H,12-16H2,1-2H3