5-[1-oxidanylidene-2-(phenylmethyl)isoquinolin-4-yl]pentanal

Systemtic Name: 5-[1-oxidanylidene-2-(phenylmethyl)isoquinolin-4-yl]pentanal Openeye Name: 5-(2-benzyl-1-oxo-4-isoquinolyl)pentanal CAS Name: 5-[1-oxo-2-(phenylmethyl)-4-isoquinolinyl]pentanal IUPAC Name: 5-(2-benzyl-1-oxoisoquinolin-4-yl)pentanal Traditional Name: 5-(2-benzyl-1-keto-4-isoquinolyl)valeraldehyde Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C3C2=O)CCCCC=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C3C2=O)CCCCC=O

InChI

InChI=1S/C21H21NO2/c23-14-8-2-5-11-18-16-22(15-17-9-3-1-4-10-17)21(24)20-13-7-6-12-19(18)20/h1,3-4,6-7,9-10,12-14,16H,2,5,8,11,15H2