3-(6-methoxy-1,3-benzothiazol-2-yl)-7-(3-oxidanylpiperidin-1-yl)-2H-isoquinolin-1-one

Systemtic Name: 3-(6-methoxy-1,3-benzothiazol-2-yl)-7-(3-oxidanylpiperidin-1-yl)-2H-isoquinolin-1-one Openeye Name: 7-(3-hydroxy-1-piperidyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-2H-isoquinolin-1-one CAS Name: 7-(3-hydroxy-1-piperidinyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-2H-isoquinolin-1-one IUPAC Name: 7-(3-hydroxypiperidin-1-yl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-2H-isoquinolin-1-one Traditional Name: 7-(3-hydroxypiperidino)-3-(6-methoxy-1,3-benzothiazol-2-yl)isocarbostyril Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)C3=CC4=C(C=C(C=C4)N5CCCC(C5)O)C(=O)N3

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)C3=CC4=C(C=C(C=C4)N5CCCC(C5)O)C(=O)N3

InChI

InChI=1S/C22H21N3O3S/c1-28-16-6-7-18-20(11-16)29-22(24-18)19-9-13-4-5-14(10-17(13)21(27)23-19)25-8-2-3-15(26)12-25/h4-7,9-11,15,26H,2-3,8,12H2,1H3,(H,23,27)