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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-morpholin-4-ylpropyl)-5-(2-phenylbutanoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-morpholinopropyl)-5-(2-phenylbutanoylamino)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(4-morpholinyl)propyl]-5-[(1-oxo-2-phenylbutyl)amino]benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-morpholin-4-ylpropyl)-5-(2-phenylbutanoylamino)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-morpholinopropyl)-5-(2-phenylbutanoylamino)benzamide Formula: C33H40N4O3 MolecularWeight: 540.6957

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H40N4O3/c1-2-29(26-10-4-3-5-11-26)33(39)35-28-13-14-31(37-18-15-25-9-6-7-12-27(25)24-37)30(23-28)32(38)34-16-8-17-36-19-21-40-22-20-36/h3-7,9-14,23,29H,2,8,15-22,24H2,1H3,(H,34,38)(H,35,39)