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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-morpholin-4-ylpropyl)-5-[(4-pentylphenyl)carbonylamino]benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-morpholinopropyl)-5-[(4-pentylbenzoyl)amino]benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(4-morpholinyl)propyl]-5-[[oxo-(4-pentylphenyl)methyl]amino]benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-morpholin-4-ylpropyl)-5-[(4-pentylbenzoyl)amino]benzamide Traditional Name: 5-[(4-amylbenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-morpholinopropyl)benzamide Formula: C35H44N4O3 MolecularWeight: 568.74886

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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)NCCCN5CCOCC5

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCCCN5CCOCC5

InChI

InChI=1S/C35H44N4O3/c1-2-3-4-8-27-11-13-29(14-12-27)34(40)37-31-15-16-33(39-20-17-28-9-5-6-10-30(28)26-39)32(25-31)35(41)36-18-7-19-38-21-23-42-24-22-38/h5-6,9-16,25H,2-4,7-8,17-24,26H2,1H3,(H,36,41)(H,37,40)