3-(2-chlorophenyl)-N-[2-(oxan-4-ylmethyl)-1-oxidanylidene-isoquinolin-5-yl]propanamide

Systemtic Name: 3-(2-chlorophenyl)-N-[2-(oxan-4-ylmethyl)-1-oxidanylidene-isoquinolin-5-yl]propanamide Openeye Name: 3-(2-chlorophenyl)-N-[1-oxo-2-(tetrahydropyran-4-ylmethyl)-5-isoquinolyl]propanamide CAS Name: 3-(2-chlorophenyl)-N-[2-(4-oxanylmethyl)-1-oxo-5-isoquinolinyl]propanamide IUPAC Name: 3-(2-chlorophenyl)-N-[2-(oxan-4-ylmethyl)-1-oxoisoquinolin-5-yl]propanamide Traditional Name: 3-(2-chlorophenyl)-N-[1-keto-2-(tetrahydropyran-4-ylmethyl)-5-isoquinolyl]propionamide Formula: C24H25ClN2O3 MolecularWeight: 424.9199

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN2C=CC3=C(C2=O)C=CC=C3NC(=O)CCC4=CC=CC=C4Cl

Isomeric SMILES

C1COCCC1CN2C=CC3=C(C2=O)C=CC=C3NC(=O)CCC4=CC=CC=C4Cl

InChI

InChI=1S/C24H25ClN2O3/c25-21-6-2-1-4-18(21)8-9-23(28)26-22-7-3-5-20-19(22)10-13-27(24(20)29)16-17-11-14-30-15-12-17/h1-7,10,13,17H,8-9,11-12,14-16H2,(H,26,28)