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

Systemtic Name: 1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-3-ylmethoxy)-4-(3-thiophen-2-ylpropanoyl)-1,4-diazepan-2-one Openeye Name: 1-[(1-methylpyrazol-4-yl)methyl]-6-(3-pyridylmethoxy)-4-[3-(2-thienyl)propanoyl]-1,4-diazepan-2-one CAS Name: 1-[(1-methyl-4-pyrazolyl)methyl]-4-(1-oxo-3-thiophen-2-ylpropyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-3-ylmethoxy)-4-(3-thiophen-2-ylpropanoyl)-1,4-diazepan-2-one Traditional Name: 1-[(1-methylpyrazol-4-yl)methyl]-6-(3-pyridylmethoxy)-4-[3-(2-thienyl)propanoyl]-1,4-diazepan-2-one Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2CC(CN(CC2=O)C(=O)CCC3=CC=CS3)OCC4=CN=CC=C4

Isomeric SMILES

CN1C=C(C=N1)CN2CC(CN(CC2=O)C(=O)CCC3=CC=CS3)OCC4=CN=CC=C4

InChI

InChI=1S/C23H27N5O3S/c1-26-12-19(11-25-26)13-27-14-20(31-17-18-4-2-8-24-10-18)15-28(16-23(27)30)22(29)7-6-21-5-3-9-32-21/h2-5,8-12,20H,6-7,13-17H2,1H3