(4S)-4-(4-chloranylbutyl)-4-methyl-2-[(1R)-2-oxidanyl-1-phenyl-ethyl]-1H-isoquinolin-3-one

Systemtic Name: (4S)-4-(4-chloranylbutyl)-4-methyl-2-[(1R)-2-oxidanyl-1-phenyl-ethyl]-1H-isoquinolin-3-one Openeye Name: (4S)-4-(4-chlorobutyl)-2-[(1R)-2-hydroxy-1-phenyl-ethyl]-4-methyl-1H-isoquinolin-3-one CAS Name: (4S)-4-(4-chlorobutyl)-2-[(1R)-2-hydroxy-1-phenylethyl]-4-methyl-1H-isoquinolin-3-one IUPAC Name: (4S)-4-(4-chlorobutyl)-2-[(1R)-2-hydroxy-1-phenylethyl]-4-methyl-1H-isoquinolin-3-one Traditional Name: (4S)-4-(4-chlorobutyl)-2-[(1R)-2-hydroxy-1-phenyl-ethyl]-4-methyl-1H-isoquinolin-3-one Formula: C22H26ClNO2 MolecularWeight: 371.90034

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2CN(C1=O)C(CO)C3=CC=CC=C3)CCCCCl

Isomeric SMILES

C[C@@]1(C2=CC=CC=C2CN(C1=O)[C@@H](CO)C3=CC=CC=C3)CCCCCl

InChI

InChI=1S/C22H26ClNO2/c1-22(13-7-8-14-23)19-12-6-5-11-18(19)15-24(21(22)26)20(16-25)17-9-3-2-4-10-17/h2-6,9-12,20,25H,7-8,13-16H2,1H3/t20-,22-/m0/s1