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

Systemtic Name: 3-[[2-(3-butylisoquinolin-1-yl)oxyethyl-methyl-amino]methylamino]-2-propan-2-yl-benzamide Openeye Name: 3-[[2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]methylamino]-2-isopropyl-benzamide CAS Name: 3-[[2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-methylamino]methylamino]-2-propan-2-ylbenzamide IUPAC Name: 3-[[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]methylamino]-2-propan-2-ylbenzamide Traditional Name: 3-[[2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]methylamino]-2-isopropyl-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(=C3C(C)C)C(=O)N

Isomeric SMILES

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

InChI

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