2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)-5-(2-phenylbutanoylamino)benzamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)-5-(2-phenylbutanoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-phenylbutanoylamino)-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-oxolanylmethyl)-5-[(1-oxo-2-phenylbutyl)amino]benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)-5-(2-phenylbutanoylamino)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-phenylbutanoylamino)-N-(tetrahydrofurfuryl)benzamide Formula: C31H35N3O3 MolecularWeight: 497.6279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCC5CCCO5

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCC5CCCO5

InChI

InChI=1S/C31H35N3O3/c1-2-27(23-10-4-3-5-11-23)31(36)33-25-14-15-29(34-17-16-22-9-6-7-12-24(22)21-34)28(19-25)30(35)32-20-26-13-8-18-37-26/h3-7,9-12,14-15,19,26-27H,2,8,13,16-18,20-21H2,1H3,(H,32,35)(H,33,36)