1-[(1-methylpyrazol-4-yl)methyl]-4-[(5-methylthiophen-2-yl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-[(5-methylthiophen-2-yl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-[(5-methyl-2-thienyl)methyl]-6-(4-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-[(1-methyl-4-pyrazolyl)methyl]-4-[(5-methyl-2-thiophenyl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-[(5-methylthiophen-2-yl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-[(5-methyl-2-thienyl)methyl]-6-(4-pyridylmethoxy)-1,4-diazepan-2-one Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN2CC(CN(C(=O)C2)CC3=CN(N=C3)C)OCC4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(S1)CN2CC(CN(C(=O)C2)CC3=CN(N=C3)C)OCC4=CC=NC=C4

InChI

InChI=1S/C22H27N5O2S/c1-17-3-4-21(30-17)14-26-12-20(29-16-18-5-7-23-8-6-18)13-27(22(28)15-26)11-19-9-24-25(2)10-19/h3-10,20H,11-16H2,1-2H3