3-(2-chlorophenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-oxidanylidene-isoquinolin-5-yl]propanamide

Systemtic Name: 3-(2-chlorophenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-oxidanylidene-isoquinolin-5-yl]propanamide Openeye Name: 3-(2-chlorophenyl)-N-[2-(5-methylisoxazol-3-yl)-1-oxo-5-isoquinolyl]propanamide CAS Name: 3-(2-chlorophenyl)-N-[2-(5-methyl-3-isoxazolyl)-1-oxo-5-isoquinolinyl]propanamide IUPAC Name: 3-(2-chlorophenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-oxoisoquinolin-5-yl]propanamide Traditional Name: 3-(2-chlorophenyl)-N-[1-keto-2-(5-methylisoxazol-3-yl)-5-isoquinolyl]propionamide Formula: C22H18ClN3O3 MolecularWeight: 407.84962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)N2C=CC3=C(C2=O)C=CC=C3NC(=O)CCC4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC(=NO1)N2C=CC3=C(C2=O)C=CC=C3NC(=O)CCC4=CC=CC=C4Cl

InChI

InChI=1S/C22H18ClN3O3/c1-14-13-20(25-29-14)26-12-11-16-17(22(26)28)6-4-8-19(16)24-21(27)10-9-15-5-2-3-7-18(15)23/h2-8,11-13H,9-10H2,1H3,(H,24,27)