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

Systemtic Name: 3-[[2-(3-butylisoquinolin-1-yl)oxyethyl-methyl-amino]methylamino]-2-propyl-benzamide Openeye Name: 3-[[2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]methylamino]-2-propyl-benzamide CAS Name: 3-[[2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-methylamino]methylamino]-2-propylbenzamide IUPAC Name: 3-[[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]methylamino]-2-propylbenzamide Traditional Name: 3-[[2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]methylamino]-2-propyl-benzamide Formula: C27H36N4O2 MolecularWeight: 448.60034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)CNC3=CC=CC(=C3CCC)C(=O)N

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)CNC3=CC=CC(=C3CCC)C(=O)N

InChI

InChI=1S/C27H36N4O2/c1-4-6-12-21-18-20-11-7-8-13-22(20)27(30-21)33-17-16-31(3)19-29-25-15-9-14-24(26(28)32)23(25)10-5-2/h7-9,11,13-15,18,29H,4-6,10,12,16-17,19H2,1-3H3,(H2,28,32)