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

Systemtic Name: 2-[2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methyl-amino]ethanoylamino]butanediamide Openeye Name: 2-[[2-[2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]acetyl]amino]butanediamide CAS Name: 2-[[2-[2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-methylamino]-1-oxoethyl]amino]butanediamide IUPAC Name: 2-[[2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]acetyl]amino]butanediamide Traditional Name: 2-[[2-[2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]acetyl]amino]succinamide Formula: C22H31N5O4 MolecularWeight: 429.51264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O4/c1-3-4-8-16-12-15-7-5-6-9-17(15)22(25-16)31-11-10-27(2)14-20(29)26-18(21(24)30)13-19(23)28/h5-7,9,12,18H,3-4,8,10-11,13-14H2,1-2H3,(H2,23,28)(H2,24,30)(H,26,29)