5-(4-chloranylbutanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)benzamide

Systemtic Name: 5-(4-chloranylbutanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)benzamide Openeye Name: 5-(4-chlorobutanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)benzamide CAS Name: 5-[(4-chloro-1-oxobutyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)benzamide IUPAC Name: 5-(4-chlorobutanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)benzamide Traditional Name: 5-(4-chlorobutanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)benzamide Formula: C24H30ClN3O3 MolecularWeight: 443.9663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=C(C=CC(=C1)NC(=O)CCCCl)N2CCC3=CC=CC=C3C2

Isomeric SMILES

COCCCNC(=O)C1=C(C=CC(=C1)NC(=O)CCCCl)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C24H30ClN3O3/c1-31-15-5-13-26-24(30)21-16-20(27-23(29)8-4-12-25)9-10-22(21)28-14-11-18-6-2-3-7-19(18)17-28/h2-3,6-7,9-10,16H,4-5,8,11-15,17H2,1H3,(H,26,30)(H,27,29)