N-[6-[4-(1,3-benzodioxol-5-ylcarbonyl)-1,4-diazepan-1-yl]pyridin-3-yl]-2-thiophen-2-yl-ethanamide

Systemtic Name: N-[6-[4-(1,3-benzodioxol-5-ylcarbonyl)-1,4-diazepan-1-yl]pyridin-3-yl]-2-thiophen-2-yl-ethanamide Openeye Name: N-[6-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-3-pyridyl]-2-(2-thienyl)acetamide CAS Name: N-[6-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-thiophen-2-ylacetamide IUPAC Name: N-[6-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]pyridin-3-yl]-2-thiophen-2-ylacetamide Traditional Name: N-[6-(4-piperonyloyl-1,4-diazepan-1-yl)-3-pyridyl]-2-(2-thienyl)acetamide Formula: C24H24N4O4S MolecularWeight: 464.53676

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)OCO3)C4=NC=C(C=C4)NC(=O)CC5=CC=CS5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)OCO3)C4=NC=C(C=C4)NC(=O)CC5=CC=CS5

InChI

InChI=1S/C24H24N4O4S/c29-23(14-19-3-1-12-33-19)26-18-5-7-22(25-15-18)27-8-2-9-28(11-10-27)24(30)17-4-6-20-21(13-17)32-16-31-20/h1,3-7,12-13,15H,2,8-11,14,16H2,(H,26,29)