2-phenyl-2-(4-pyrrolidin-1-ylbut-2-ynyl)indene-1,3-dione hydrochloride

Systemtic Name: 2-phenyl-2-(4-pyrrolidin-1-ylbut-2-ynyl)indene-1,3-dione hydrochloride Openeye Name: 2-phenyl-2-(4-pyrrolidin-1-ylbut-2-ynyl)indane-1,3-dione hydrochloride CAS Name: 2-phenyl-2-[4-(1-pyrrolidinyl)but-2-ynyl]indene-1,3-dione hydrochloride IUPAC Name: 2-phenyl-2-(4-pyrrolidin-1-ylbut-2-ynyl)indene-1,3-dione hydrochloride Traditional Name: 2-phenyl-2-(4-pyrrolidinobut-2-ynyl)indane-1,3-quinone hydrochloride Formula: C23H22ClNO2 MolecularWeight: 379.87928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC#CCC2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4.Cl

Isomeric SMILES

C1CCN(C1)CC#CCC2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4.Cl

InChI

InChI=1S/C23H21NO2.ClH/c25-21-19-12-4-5-13-20(19)22(26)23(21,18-10-2-1-3-11-18)14-6-7-15-24-16-8-9-17-24;/h1-5,10-13H,8-9,14-17H2;1H