6-methoxy-2-methyl-3-(oxiran-2-ylmethoxymethyl)-4-phenyl-isoquinolin-1-one

Systemtic Name: 6-methoxy-2-methyl-3-(oxiran-2-ylmethoxymethyl)-4-phenyl-isoquinolin-1-one Openeye Name: 6-methoxy-2-methyl-3-(oxiran-2-ylmethoxymethyl)-4-phenyl-isoquinolin-1-one CAS Name: 6-methoxy-2-methyl-3-(2-oxiranylmethoxymethyl)-4-phenyl-1-isoquinolinone IUPAC Name: 6-methoxy-2-methyl-3-(oxiran-2-ylmethoxymethyl)-4-phenylisoquinolin-1-one Traditional Name: 3-(glycidoxymethyl)-6-methoxy-2-methyl-4-phenyl-isocarbostyril Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3)COCC4CO4

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3)COCC4CO4

InChI

InChI=1S/C21H21NO4/c1-22-19(13-25-11-16-12-26-16)20(14-6-4-3-5-7-14)18-10-15(24-2)8-9-17(18)21(22)23/h3-10,16H,11-13H2,1-2H3