ethanedioic acid; 3-[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-1,3-thiazol-2-yl]propan-1-ol

Systemtic Name: ethanedioic acid; 3-[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-1,3-thiazol-2-yl]propan-1-ol Openeye Name: 3-[5-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]thiazol-2-yl]propan-1-ol; oxalic acid CAS Name: 3-[5-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-2-thiazolyl]-1-propanol; oxalic acid IUPAC Name: 3-[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-1,3-thiazol-2-yl]propan-1-ol; oxalic acid Traditional Name: 3-[5-[1-(4-ethylpiperazino)-3-isoquinolyl]thiazol-2-yl]propan-1-ol; oxalic acid Formula: C23H28N4O5S MolecularWeight: 472.55722

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CN=C(S4)CCCO.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CN=C(S4)CCCO.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N4OS.C2H2O4/c1-2-24-9-11-25(12-10-24)21-17-7-4-3-6-16(17)14-18(23-21)19-15-22-20(27-19)8-5-13-26;3-1(4)2(5)6/h3-4,6-7,14-15,26H,2,5,8-13H2,1H3;(H,3,4)(H,5,6)