4-[5-chloranyl-6-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]pyridin-3-yl]-2-ethyl-6,7-dimethoxy-isoquinolin-1-one

Systemtic Name: 4-[5-chloranyl-6-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]pyridin-3-yl]-2-ethyl-6,7-dimethoxy-isoquinolin-1-one Openeye Name: 4-[5-chloro-6-[4-(1-hydroxy-1-methyl-ethyl)-1-piperidyl]-3-pyridyl]-2-ethyl-6,7-dimethoxy-isoquinolin-1-one CAS Name: 4-[5-chloro-6-[4-(2-hydroxypropan-2-yl)-1-piperidinyl]-3-pyridinyl]-2-ethyl-6,7-dimethoxy-1-isoquinolinone IUPAC Name: 4-[5-chloro-6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]pyridin-3-yl]-2-ethyl-6,7-dimethoxyisoquinolin-1-one Traditional Name: 4-[5-chloro-6-[4-(1-hydroxy-1-methyl-ethyl)piperidino]-3-pyridyl]-2-ethyl-6,7-dimethoxy-isocarbostyril Formula: C26H32ClN3O4 MolecularWeight: 486.00298

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C3=CC(=C(N=C3)N4CCC(CC4)C(C)(C)O)Cl

Isomeric SMILES

CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C3=CC(=C(N=C3)N4CCC(CC4)C(C)(C)O)Cl

InChI

InChI=1S/C26H32ClN3O4/c1-6-29-15-20(18-12-22(33-4)23(34-5)13-19(18)25(29)31)16-11-21(27)24(28-14-16)30-9-7-17(8-10-30)26(2,3)32/h11-15,17,32H,6-10H2,1-5H3