2-[4-[di(propan-2-yl)amino]but-2-ynyl]-2-phenyl-indene-1,3-dione hydrochloride

Systemtic Name: 2-[4-[di(propan-2-yl)amino]but-2-ynyl]-2-phenyl-indene-1,3-dione hydrochloride Openeye Name: 2-[4-(diisopropylamino)but-2-ynyl]-2-phenyl-indane-1,3-dione hydrochloride CAS Name: 2-[4-[di(propan-2-yl)amino]but-2-ynyl]-2-phenylindene-1,3-dione hydrochloride IUPAC Name: 2-[4-[di(propan-2-yl)amino]but-2-ynyl]-2-phenylindene-1,3-dione hydrochloride Traditional Name: 2-[4-(diisopropylamino)but-2-ynyl]-2-phenyl-indane-1,3-quinone hydrochloride Formula: C25H28ClNO2 MolecularWeight: 409.94832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC#CCC1(C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(C)C.Cl

Isomeric SMILES

CC(C)N(CC#CCC1(C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(C)C.Cl

InChI

InChI=1S/C25H27NO2.ClH/c1-18(2)26(19(3)4)17-11-10-16-25(20-12-6-5-7-13-20)23(27)21-14-8-9-15-22(21)24(25)28;/h5-9,12-15,18-19H,16-17H2,1-4H3;1H