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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-(pentanoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-(pentanoylamino)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-(1-oxopentylamino)benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-(pentanoylamino)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-(valerylamino)benzamide Formula: C25H33N3O3 MolecularWeight: 423.54782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCCOC

Isomeric SMILES

CCCCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCCOC

InChI

InChI=1S/C25H33N3O3/c1-3-4-10-24(29)27-21-11-12-23(22(17-21)25(30)26-14-7-16-31-2)28-15-13-19-8-5-6-9-20(19)18-28/h5-6,8-9,11-12,17H,3-4,7,10,13-16,18H2,1-2H3,(H,26,30)(H,27,29)