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

Systemtic Name: 2-chloranyl-N-[2-(oxan-4-ylmethyl)-1-oxidanylidene-isoquinolin-5-yl]benzamide Openeye Name: 2-chloro-N-[1-oxo-2-(tetrahydropyran-4-ylmethyl)-5-isoquinolyl]benzamide CAS Name: 2-chloro-N-[2-(4-oxanylmethyl)-1-oxo-5-isoquinolinyl]benzamide IUPAC Name: 2-chloro-N-[2-(oxan-4-ylmethyl)-1-oxoisoquinolin-5-yl]benzamide Traditional Name: 2-chloro-N-[1-keto-2-(tetrahydropyran-4-ylmethyl)-5-isoquinolyl]benzamide Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN2C=CC3=C(C2=O)C=CC=C3NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1COCCC1CN2C=CC3=C(C2=O)C=CC=C3NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H21ClN2O3/c23-19-6-2-1-4-18(19)21(26)24-20-7-3-5-17-16(20)8-11-25(22(17)27)14-15-9-12-28-13-10-15/h1-8,11,15H,9-10,12-14H2,(H,24,26)