2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-pentylphenyl)carbonylamino]-N-phenethyl-benzamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-pentylphenyl)carbonylamino]-N-phenethyl-benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-pentylbenzoyl)amino]-N-phenethyl-benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[oxo-(4-pentylphenyl)methyl]amino]-N-phenethylbenzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-pentylbenzoyl)amino]-N-phenethylbenzamide Traditional Name: 5-[(4-amylbenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Formula: C36H39N3O2 MolecularWeight: 545.71376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C36H39N3O2/c1-2-3-5-10-28-15-17-30(18-16-28)35(40)38-32-19-20-34(39-24-22-29-13-8-9-14-31(29)26-39)33(25-32)36(41)37-23-21-27-11-6-4-7-12-27/h4,6-9,11-20,25H,2-3,5,10,21-24,26H2,1H3,(H,37,41)(H,38,40)