1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]butan-1-one dihydrochloride

Systemtic Name: 1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]butan-1-one dihydrochloride Openeye Name: 1-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]butan-1-one dihydrochloride CAS Name: 1-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]-1-butanone dihydrochloride IUPAC Name: 1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]butan-1-one dihydrochloride Traditional Name: 1-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]butan-1-one dihydrochloride Formula: C25H31Cl2N3O MolecularWeight: 460.43914

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC.Cl.Cl

Isomeric SMILES

CCCC(=O)C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC.Cl.Cl

InChI

InChI=1S/C25H29N3O.2ClH/c1-3-7-24(29)20-12-10-19(11-13-20)23-18-21-8-5-6-9-22(21)25(26-23)28-16-14-27(4-2)15-17-28;;/h5-6,8-13,18H,3-4,7,14-17H2,1-2H3;2*1H