6-(2-oxidanylidenepropoxy)-2-(3-phenylpropyl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 6-(2-oxidanylidenepropoxy)-2-(3-phenylpropyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 6-acetonyloxy-2-(3-phenylpropyl)-3,4-dihydroisoquinolin-1-one CAS Name: 6-(2-oxopropoxy)-2-(3-phenylpropyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 6-(2-oxopropoxy)-2-(3-phenylpropyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 6-acetonyloxy-2-(3-phenylpropyl)-3,4-dihydroisocarbostyril Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC1=CC2=C(C=C1)C(=O)N(CC2)CCCC3=CC=CC=C3

Isomeric SMILES

CC(=O)COC1=CC2=C(C=C1)C(=O)N(CC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H23NO3/c1-16(23)15-25-19-9-10-20-18(14-19)11-13-22(21(20)24)12-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10,14H,5,8,11-13,15H2,1H3