6-bromanyl-2-[[4-(hydroxymethyl)phenyl]methyl]-4-phenyl-3-propanoyl-isoquinolin-1-one

Systemtic Name: 6-bromanyl-2-[[4-(hydroxymethyl)phenyl]methyl]-4-phenyl-3-propanoyl-isoquinolin-1-one Openeye Name: 6-bromo-2-[[4-(hydroxymethyl)phenyl]methyl]-4-phenyl-3-propanoyl-isoquinolin-1-one CAS Name: 6-bromo-2-[[4-(hydroxymethyl)phenyl]methyl]-3-(1-oxopropyl)-4-phenyl-1-isoquinolinone IUPAC Name: 6-bromo-2-[[4-(hydroxymethyl)phenyl]methyl]-4-phenyl-3-propanoylisoquinolin-1-one Traditional Name: 6-bromo-2-(4-methylolbenzyl)-4-phenyl-3-propionyl-isocarbostyril Formula: C26H22BrNO3 MolecularWeight: 476.36178

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)CO)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)CO)C4=CC=CC=C4

InChI

InChI=1S/C26H22BrNO3/c1-2-23(30)25-24(19-6-4-3-5-7-19)22-14-20(27)12-13-21(22)26(31)28(25)15-17-8-10-18(16-29)11-9-17/h3-14,29H,2,15-16H2,1H3