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

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-6-(pyridin-3-ylmethoxy)-4-(2-thiophen-2-ylethanoyl)-1,4-diazepan-2-one Openeye Name: 1-[(4-methoxyphenyl)methyl]-6-(3-pyridylmethoxy)-4-[2-(2-thienyl)acetyl]-1,4-diazepan-2-one CAS Name: 1-[(4-methoxyphenyl)methyl]-4-(1-oxo-2-thiophen-2-ylethyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-[(4-methoxyphenyl)methyl]-6-(pyridin-3-ylmethoxy)-4-(2-thiophen-2-ylacetyl)-1,4-diazepan-2-one Traditional Name: 1-p-anisyl-6-(3-pyridylmethoxy)-4-[2-(2-thienyl)acetyl]-1,4-diazepan-2-one Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CC(CN(CC2=O)C(=O)CC3=CC=CS3)OCC4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CC(CN(CC2=O)C(=O)CC3=CC=CS3)OCC4=CN=CC=C4

InChI

InChI=1S/C25H27N3O4S/c1-31-21-8-6-19(7-9-21)14-27-15-22(32-18-20-4-2-10-26-13-20)16-28(17-25(27)30)24(29)12-23-5-3-11-33-23/h2-11,13,22H,12,14-18H2,1H3