5-[1-[(2R)-2-methyl-4-(phenylcarbonyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]oxy-2H-isoquinolin-1-one

Systemtic Name: 5-[1-[(2R)-2-methyl-4-(phenylcarbonyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]oxy-2H-isoquinolin-1-one Openeye Name: 5-[2-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-1-methyl-2-oxo-ethoxy]-2H-isoquinolin-1-one CAS Name: 5-[1-[(2R)-4-benzoyl-2-methyl-1-piperazinyl]-1-oxopropan-2-yl]oxy-2H-isoquinolin-1-one IUPAC Name: 5-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-2H-isoquinolin-1-one Traditional Name: 5-[2-[(2R)-4-benzoyl-2-methyl-piperazino]-2-keto-1-methyl-ethoxy]isocarbostyril Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(C)OC2=CC=CC3=C2C=CNC3=O)C(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@@H]1CN(CCN1C(=O)C(C)OC2=CC=CC3=C2C=CNC3=O)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O4/c1-16-15-26(24(30)18-7-4-3-5-8-18)13-14-27(16)23(29)17(2)31-21-10-6-9-20-19(21)11-12-25-22(20)28/h3-12,16-17H,13-15H2,1-2H3,(H,25,28)/t16-,17?/m1/s1