1-(3-ethylisoquinolin-7-yl)butan-2-one

Systemtic Name: 1-(3-ethylisoquinolin-7-yl)butan-2-one Openeye Name: 1-(3-ethyl-7-isoquinolyl)butan-2-one CAS Name: 1-(3-ethyl-7-isoquinolinyl)-2-butanone IUPAC Name: 1-(3-ethylisoquinolin-7-yl)butan-2-one Traditional Name: 1-(3-ethyl-7-isoquinolyl)butan-2-one Formula: C15H17NO MolecularWeight: 227.30158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=C2C=C(C=CC2=C1)CC(=O)CC

Isomeric SMILES

CCC1=NC=C2C=C(C=CC2=C1)CC(=O)CC

InChI

InChI=1S/C15H17NO/c1-3-14-9-12-6-5-11(8-15(17)4-2)7-13(12)10-16-14/h5-7,9-10H,3-4,8H2,1-2H3