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

Systemtic Name: 3-[[2-(3-butylisoquinolin-1-yl)oxyethyl-methyl-amino]methylamino]-2-methyl-benzamide Openeye Name: 3-[[2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]methylamino]-2-methyl-benzamide CAS Name: 3-[[2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-methylamino]methylamino]-2-methylbenzamide IUPAC Name: 3-[[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]methylamino]-2-methylbenzamide Traditional Name: 3-[[2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]methylamino]-2-methyl-benzamide Formula: C25H32N4O2 MolecularWeight: 420.54718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)CNC3=CC=CC(=C3C)C(=O)N

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)CNC3=CC=CC(=C3C)C(=O)N

InChI

InChI=1S/C25H32N4O2/c1-4-5-10-20-16-19-9-6-7-11-22(19)25(28-20)31-15-14-29(3)17-27-23-13-8-12-21(18(23)2)24(26)30/h6-9,11-13,16,27H,4-5,10,14-15,17H2,1-3H3,(H2,26,30)