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5-methyl-2-octan-3-yl-isoquinolin-1-one

5-methyl-2-octan-3-yl-isoquinolin-1-one

Systemtic Name:5-methyl-2-octan-3-yl-isoquinolin-1-one
Openeye Name:2-(1-ethylhexyl)-5-methyl-isoquinolin-1-one
CAS Name:5-methyl-2-octan-3-yl-1-isoquinolinone
IUPAC Name:5-methyl-2-octan-3-ylisoquinolin-1-one
Traditional Name:2-(1-ethylhexyl)-5-methyl-isocarbostyril
Formula: C18H25NO
MolecularWeight: 271.3972
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)N1C=CC2=C(C1=O)C=CC=C2C


Isomeric SMILES

CCCCCC(CC)N1C=CC2=C(C1=O)C=CC=C2C


InChI

InChI=1S/C18H25NO/c1-4-6-7-10-15(5-2)19-13-12-16-14(3)9-8-11-17(16)18(19)20/h8-9,11-13,15H,4-7,10H2,1-3H3


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