2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methyl-amino]ethanenitrile

Systemtic Name: 2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methyl-amino]ethanenitrile Openeye Name: 2-[2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]acetonitrile CAS Name: 2-[2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-methylamino]acetonitrile IUPAC Name: 2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]acetonitrile Traditional Name: 2-[2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]acetonitrile Formula: C18H23N3O MolecularWeight: 297.39472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)CC#N

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)CC#N

InChI

InChI=1S/C18H23N3O/c1-3-4-8-16-14-15-7-5-6-9-17(15)18(20-16)22-13-12-21(2)11-10-19/h5-7,9,14H,3-4,8,11-13H2,1-2H3