4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-fluoranyl-N-propyl-benzamide dihydrochloride

Systemtic Name: 4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-fluoranyl-N-propyl-benzamide dihydrochloride Openeye Name: 4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]-2-fluoro-N-propyl-benzamide dihydrochloride CAS Name: 4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-2-fluoro-N-propylbenzamide dihydrochloride IUPAC Name: 4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-fluoro-N-propylbenzamide dihydrochloride Traditional Name: 4-[1-(4-ethylpiperazino)-3-isoquinolyl]-2-fluoro-N-propyl-benzamide dihydrochloride Formula: C25H31Cl2FN4O MolecularWeight: 493.444243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29FN4O.2ClH/c1-3-11-27-25(31)21-10-9-19(16-22(21)26)23-17-18-7-5-6-8-20(18)24(28-23)30-14-12-29(4-2)13-15-30;;/h5-10,16-17H,3-4,11-15H2,1-2H3,(H,27,31);2*1H