3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-[(5-chloranyl-2-methoxy-phenyl)methyl]-N-methyl-propanamide

Systemtic Name: 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-[(5-chloranyl-2-methoxy-phenyl)methyl]-N-methyl-propanamide Openeye Name: N-[(5-chloro-2-methoxy-phenyl)methyl]-3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-methyl-propanamide CAS Name: N-[(5-chloro-2-methoxyphenyl)methyl]-3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-methylpropanamide IUPAC Name: N-[(5-chloro-2-methoxyphenyl)methyl]-3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-methylpropanamide Traditional Name: N-(5-chloro-2-methoxy-benzyl)-3-(1,3-diketo-4H-isoquinolin-2-yl)-N-methyl-propionamide Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)Cl)OC)C(=O)CCN2C(=O)CC3=CC=CC=C3C2=O

Isomeric SMILES

CN(CC1=C(C=CC(=C1)Cl)OC)C(=O)CCN2C(=O)CC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H21ClN2O4/c1-23(13-15-11-16(22)7-8-18(15)28-2)19(25)9-10-24-20(26)12-14-5-3-4-6-17(14)21(24)27/h3-8,11H,9-10,12-13H2,1-2H3