5-(decanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide

Systemtic Name: 5-(decanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Openeye Name: 5-(decanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-oxodecylamino)-N-phenethylbenzamide IUPAC Name: 5-(decanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide Traditional Name: 5-(caprylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Formula: C34H43N3O2 MolecularWeight: 525.72412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C34H43N3O2/c1-2-3-4-5-6-7-11-18-33(38)36-30-19-20-32(37-24-22-28-16-12-13-17-29(28)26-37)31(25-30)34(39)35-23-21-27-14-9-8-10-15-27/h8-10,12-17,19-20,25H,2-7,11,18,21-24,26H2,1H3,(H,35,39)(H,36,38)