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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(hexanoylamino)-N-(3-methoxypropyl)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(hexanoylamino)-N-(3-methoxypropyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-(1-oxohexylamino)benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(hexanoylamino)-N-(3-methoxypropyl)benzamide Traditional Name: 5-(caproylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)benzamide Formula: C26H35N3O3 MolecularWeight: 437.5744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O3/c1-3-4-5-11-25(30)28-22-12-13-24(23(18-22)26(31)27-15-8-17-32-2)29-16-14-20-9-6-7-10-21(20)19-29/h6-7,9-10,12-13,18H,3-5,8,11,14-17,19H2,1-2H3,(H,27,31)(H,28,30)