3-chloranyl-4-methoxy-N-[2-(oxan-4-ylmethyl)-1-oxidanylidene-isoquinolin-5-yl]benzamide

Systemtic Name: 3-chloranyl-4-methoxy-N-[2-(oxan-4-ylmethyl)-1-oxidanylidene-isoquinolin-5-yl]benzamide Openeye Name: 3-chloro-4-methoxy-N-[1-oxo-2-(tetrahydropyran-4-ylmethyl)-5-isoquinolyl]benzamide CAS Name: 3-chloro-4-methoxy-N-[2-(4-oxanylmethyl)-1-oxo-5-isoquinolinyl]benzamide IUPAC Name: 3-chloro-4-methoxy-N-[2-(oxan-4-ylmethyl)-1-oxoisoquinolin-5-yl]benzamide Traditional Name: 3-chloro-N-[1-keto-2-(tetrahydropyran-4-ylmethyl)-5-isoquinolyl]-4-methoxy-benzamide Formula: C23H23ClN2O4 MolecularWeight: 426.89272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2C=CN(C3=O)CC4CCOCC4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2C=CN(C3=O)CC4CCOCC4)Cl

InChI

InChI=1S/C23H23ClN2O4/c1-29-21-6-5-16(13-19(21)24)22(27)25-20-4-2-3-18-17(20)7-10-26(23(18)28)14-15-8-11-30-12-9-15/h2-7,10,13,15H,8-9,11-12,14H2,1H3,(H,25,27)