2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(octanoylamino)-N-propan-2-yl-benzamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(octanoylamino)-N-propan-2-yl-benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isopropyl-5-(octanoylamino)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-oxooctylamino)-N-propan-2-ylbenzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(octanoylamino)-N-propan-2-ylbenzamide Traditional Name: 5-(caprylylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isopropyl-benzamide Formula: C27H37N3O2 MolecularWeight: 435.60158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NC(C)C

Isomeric SMILES

CCCCCCCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NC(C)C

InChI

InChI=1S/C27H37N3O2/c1-4-5-6-7-8-13-26(31)29-23-14-15-25(24(18-23)27(32)28-20(2)3)30-17-16-21-11-9-10-12-22(21)19-30/h9-12,14-15,18,20H,4-8,13,16-17,19H2,1-3H3,(H,28,32)(H,29,31)