2-[4-(2-phenylimidazol-1-yl)butyl]isoindole-1,3-dione hydrochloride

Systemtic Name: 2-[4-(2-phenylimidazol-1-yl)butyl]isoindole-1,3-dione hydrochloride Openeye Name: 2-[4-(2-phenylimidazol-1-yl)butyl]isoindoline-1,3-dione hydrochloride CAS Name: 2-[4-(2-phenyl-1-imidazolyl)butyl]isoindole-1,3-dione hydrochloride IUPAC Name: 2-[4-(2-phenylimidazol-1-yl)butyl]isoindole-1,3-dione hydrochloride Traditional Name: 2-[4-(2-phenylimidazol-1-yl)butyl]isoindoline-1,3-quinone hydrochloride Formula: C21H20ClN3O2 MolecularWeight: 381.8554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC=CN2CCCCN3C(=O)C4=CC=CC=C4C3=O.Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC=CN2CCCCN3C(=O)C4=CC=CC=C4C3=O.Cl

InChI

InChI=1S/C21H19N3O2.ClH/c25-20-17-10-4-5-11-18(17)21(26)24(20)14-7-6-13-23-15-12-22-19(23)16-8-2-1-3-9-16;/h1-5,8-12,15H,6-7,13-14H2;1H