N-[[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]methyl]propanamide hydrochloride

Systemtic Name: N-[[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]methyl]propanamide hydrochloride Openeye Name: N-[[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]methyl]propanamide hydrochloride CAS Name: N-[[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]methyl]propanamide hydrochloride IUPAC Name: N-[[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]methyl]propanamide hydrochloride Traditional Name: N-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]benzyl]propionamide hydrochloride Formula: C25H31ClN4O MolecularWeight: 438.99284

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC.Cl

Isomeric SMILES

CCC(=O)NCC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC.Cl

InChI

InChI=1S/C25H30N4O.ClH/c1-3-24(30)26-18-19-9-11-20(12-10-19)23-17-21-7-5-6-8-22(21)25(27-23)29-15-13-28(4-2)14-16-29;/h5-12,17H,3-4,13-16,18H2,1-2H3,(H,26,30);1H