2-[4-(1-piperazin-1-ylisoquinolin-7-yl)oxybutyl]isoindole-1,3-dione hydrochloride

Systemtic Name: 2-[4-(1-piperazin-1-ylisoquinolin-7-yl)oxybutyl]isoindole-1,3-dione hydrochloride Openeye Name: 2-[4-[(1-piperazin-1-yl-7-isoquinolyl)oxy]butyl]isoindoline-1,3-dione hydrochloride CAS Name: 2-[4-[[1-(1-piperazinyl)-7-isoquinolinyl]oxy]butyl]isoindole-1,3-dione hydrochloride IUPAC Name: 2-[4-(1-piperazin-1-ylisoquinolin-7-yl)oxybutyl]isoindole-1,3-dione hydrochloride Traditional Name: 2-[4-[(1-piperazino-7-isoquinolyl)oxy]butyl]isoindoline-1,3-quinone hydrochloride Formula: C25H27ClN4O3 MolecularWeight: 466.95988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC=CC3=C2C=C(C=C3)OCCCCN4C(=O)C5=CC=CC=C5C4=O.Cl

Isomeric SMILES

C1CN(CCN1)C2=NC=CC3=C2C=C(C=C3)OCCCCN4C(=O)C5=CC=CC=C5C4=O.Cl

InChI

InChI=1S/C25H26N4O3.ClH/c30-24-20-5-1-2-6-21(20)25(31)29(24)13-3-4-16-32-19-8-7-18-9-10-27-23(22(18)17-19)28-14-11-26-12-15-28;/h1-2,5-10,17,26H,3-4,11-16H2;1H