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

Systemtic Name: 5-(4-chloranylbutanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)benzamide Openeye Name: 5-(4-chlorobutanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)benzamide CAS Name: 5-[(4-chloro-1-oxobutyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)benzamide IUPAC Name: 5-(4-chlorobutanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)benzamide Traditional Name: 5-(4-chlorobutanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)benzamide Formula: C25H32ClN3O3 MolecularWeight: 457.99288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32ClN3O3/c1-2-32-16-6-14-27-25(31)22-17-21(28-24(30)9-5-13-26)10-11-23(22)29-15-12-19-7-3-4-8-20(19)18-29/h3-4,7-8,10-11,17H,2,5-6,9,12-16,18H2,1H3,(H,27,31)(H,28,30)