4-(azepan-1-ylmethyl)-7-ethyl-6-(1,2,4-oxadiazol-3-yl)-5-thiophen-2-yl-isoindole-1,3-dione hydrochloride

Systemtic Name: 4-(azepan-1-ylmethyl)-7-ethyl-6-(1,2,4-oxadiazol-3-yl)-5-thiophen-2-yl-isoindole-1,3-dione hydrochloride Openeye Name: 4-(azepan-1-ylmethyl)-7-ethyl-6-(1,2,4-oxadiazol-3-yl)-5-(2-thienyl)isoindoline-1,3-dione hydrochloride CAS Name: 4-(1-azepanylmethyl)-7-ethyl-6-(1,2,4-oxadiazol-3-yl)-5-thiophen-2-ylisoindole-1,3-dione hydrochloride IUPAC Name: 4-(azepan-1-ylmethyl)-7-ethyl-6-(1,2,4-oxadiazol-3-yl)-5-thiophen-2-ylisoindole-1,3-dione hydrochloride Traditional Name: 4-(azepan-1-ylmethyl)-7-ethyl-6-(1,2,4-oxadiazol-3-yl)-5-(2-thienyl)isoindoline-1,3-quinone hydrochloride Formula: C23H25ClN4O3S MolecularWeight: 472.9876

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=C(C(=C1C3=NOC=N3)C4=CC=CS4)CN5CCCCCC5)C(=O)NC2=O.Cl

Isomeric SMILES

CCC1=C2C(=C(C(=C1C3=NOC=N3)C4=CC=CS4)CN5CCCCCC5)C(=O)NC2=O.Cl

InChI

InChI=1S/C23H24N4O3S.ClH/c1-2-14-18(21-24-13-30-26-21)17(16-8-7-11-31-16)15(12-27-9-5-3-4-6-10-27)20-19(14)22(28)25-23(20)29;/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,25,28,29);1H