3-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-4-methoxy-cyclohexa-1,5-dien-1-yl]propan-1-ol hydrochloride

Systemtic Name: 3-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-4-methoxy-cyclohexa-1,5-dien-1-yl]propan-1-ol hydrochloride Openeye Name: 3-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]-4-methoxy-cyclohexa-1,5-dien-1-yl]propan-1-ol hydrochloride CAS Name: 3-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-4-methoxy-1-cyclohexa-1,5-dienyl]-1-propanol hydrochloride IUPAC Name: 3-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-4-methoxycyclohexa-1,5-dien-1-yl]propan-1-ol hydrochloride Traditional Name: 3-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]-4-methoxy-cyclohexa-1,5-dien-1-yl]propan-1-ol hydrochloride Formula: C25H34ClN3O2 MolecularWeight: 444.00936

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4(CC=C(C=C4)CCCO)OC.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4(CC=C(C=C4)CCCO)OC.Cl

InChI

InChI=1S/C25H33N3O2.ClH/c1-3-27-14-16-28(17-15-27)24-22-9-5-4-8-21(22)19-23(26-24)25(30-2)12-10-20(11-13-25)7-6-18-29;/h4-5,8-12,19,29H,3,6-7,13-18H2,1-2H3;1H