2-chloranyl-N-[2-(2-dimethylaminoethyl)-1-oxidanylidene-isoquinolin-5-yl]-2-phenyl-ethanamide

Systemtic Name: 2-chloranyl-N-[2-(2-dimethylaminoethyl)-1-oxidanylidene-isoquinolin-5-yl]-2-phenyl-ethanamide Openeye Name: 2-chloro-N-[2-(2-dimethylaminoethyl)-1-oxo-5-isoquinolyl]-2-phenyl-acetamide CAS Name: 2-chloro-N-[2-(2-dimethylaminoethyl)-1-oxo-5-isoquinolinyl]-2-phenylacetamide IUPAC Name: 2-chloro-N-[2-(2-dimethylaminoethyl)-1-oxoisoquinolin-5-yl]-2-phenylacetamide Traditional Name: 2-chloro-N-[2-(2-dimethylaminoethyl)-1-keto-5-isoquinolyl]-2-phenyl-acetamide Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C=CC2=C(C1=O)C=CC=C2NC(=O)C(C3=CC=CC=C3)Cl

Isomeric SMILES

CN(C)CCN1C=CC2=C(C1=O)C=CC=C2NC(=O)C(C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H22ClN3O2/c1-24(2)13-14-25-12-11-16-17(21(25)27)9-6-10-18(16)23-20(26)19(22)15-7-4-3-5-8-15/h3-12,19H,13-14H2,1-2H3,(H,23,26)