1-(phenylmethyl)-6-(pyridin-2-ylmethoxy)-4-(4-thiophen-2-ylbutanoyl)-1,4-diazepan-2-one

Systemtic Name: 1-(phenylmethyl)-6-(pyridin-2-ylmethoxy)-4-(4-thiophen-2-ylbutanoyl)-1,4-diazepan-2-one Openeye Name: 1-benzyl-6-(2-pyridylmethoxy)-4-[4-(2-thienyl)butanoyl]-1,4-diazepan-2-one CAS Name: 4-(1-oxo-4-thiophen-2-ylbutyl)-1-(phenylmethyl)-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-benzyl-6-(pyridin-2-ylmethoxy)-4-(4-thiophen-2-ylbutanoyl)-1,4-diazepan-2-one Traditional Name: 1-benzyl-6-(2-pyridylmethoxy)-4-[4-(2-thienyl)butanoyl]-1,4-diazepan-2-one Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)CN1C(=O)CCCC2=CC=CS2)CC3=CC=CC=C3)OCC4=CC=CC=N4

Isomeric SMILES

C1C(CN(C(=O)CN1C(=O)CCCC2=CC=CS2)CC3=CC=CC=C3)OCC4=CC=CC=N4

InChI

InChI=1S/C26H29N3O3S/c30-25(13-6-11-24-12-7-15-33-24)29-18-23(32-20-22-10-4-5-14-27-22)17-28(26(31)19-29)16-21-8-2-1-3-9-21/h1-5,7-10,12,14-15,23H,6,11,13,16-20H2