4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-N-methyl-benzamide dihydrochloride

Systemtic Name: 4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-N-methyl-benzamide dihydrochloride Openeye Name: 4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]-N-methyl-benzamide dihydrochloride CAS Name: 4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-N-methylbenzamide dihydrochloride IUPAC Name: 4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-N-methylbenzamide dihydrochloride Traditional Name: 4-[1-(4-ethylpiperazino)-3-isoquinolyl]-N-methyl-benzamide dihydrochloride Formula: C23H28Cl2N4O MolecularWeight: 447.40062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O.2ClH/c1-3-26-12-14-27(15-13-26)22-20-7-5-4-6-19(20)16-21(25-22)17-8-10-18(11-9-17)23(28)24-2;;/h4-11,16H,3,12-15H2,1-2H3,(H,24,28);2*1H