4-[[2-(3-butylisoquinolin-1-yl)oxyethyl-methyl-amino]methylamino]-2-morpholin-4-yl-butanenitrile

Systemtic Name: 4-[[2-(3-butylisoquinolin-1-yl)oxyethyl-methyl-amino]methylamino]-2-morpholin-4-yl-butanenitrile Openeye Name: 4-[[2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]methylamino]-2-morpholino-butanenitrile CAS Name: 4-[[2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-methylamino]methylamino]-2-(4-morpholinyl)butanenitrile IUPAC Name: 4-[[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]methylamino]-2-morpholin-4-ylbutanenitrile Traditional Name: 4-[[2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]methylamino]-2-morpholino-butyronitrile Formula: C25H37N5O2 MolecularWeight: 439.59358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)CNCCC(C#N)N3CCOCC3

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)CNCCC(C#N)N3CCOCC3

InChI

InChI=1S/C25H37N5O2/c1-3-4-8-22-18-21-7-5-6-9-24(21)25(28-22)32-17-12-29(2)20-27-11-10-23(19-26)30-13-15-31-16-14-30/h5-7,9,18,23,27H,3-4,8,10-17,20H2,1-2H3