2-(5-chloranylpyridin-2-yl)-7-methoxy-3-[4-(2-oxidanylidenepiperidin-1-yl)phenyl]isoquinolin-1-one

Systemtic Name: 2-(5-chloranylpyridin-2-yl)-7-methoxy-3-[4-(2-oxidanylidenepiperidin-1-yl)phenyl]isoquinolin-1-one Openeye Name: 2-(5-chloro-2-pyridyl)-7-methoxy-3-[4-(2-oxo-1-piperidyl)phenyl]isoquinolin-1-one CAS Name: 2-(5-chloro-2-pyridinyl)-7-methoxy-3-[4-(2-oxo-1-piperidinyl)phenyl]-1-isoquinolinone IUPAC Name: 2-(5-chloropyridin-2-yl)-7-methoxy-3-[4-(2-oxopiperidin-1-yl)phenyl]isoquinolin-1-one Traditional Name: 2-(5-chloro-2-pyridyl)-3-[4-(2-ketopiperidino)phenyl]-7-methoxy-isocarbostyril Formula: C26H22ClN3O3 MolecularWeight: 459.92418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(N(C2=O)C3=NC=C(C=C3)Cl)C4=CC=C(C=C4)N5CCCCC5=O

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(N(C2=O)C3=NC=C(C=C3)Cl)C4=CC=C(C=C4)N5CCCCC5=O

InChI

InChI=1S/C26H22ClN3O3/c1-33-21-11-7-18-14-23(17-5-9-20(10-6-17)29-13-3-2-4-25(29)31)30(26(32)22(18)15-21)24-12-8-19(27)16-28-24/h5-12,14-16H,2-4,13H2,1H3