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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2,2-diphenylethanoylamino)-N-(3-morpholin-4-ylpropyl)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2,2-diphenylacetyl)amino]-N-(3-morpholinopropyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(4-morpholinyl)propyl]-5-[(1-oxo-2,2-diphenylethyl)amino]benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2,2-diphenylacetyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2,2-diphenylacetyl)amino]-N-(3-morpholinopropyl)benzamide Formula: C37H40N4O3 MolecularWeight: 588.7385

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)NCCCN6CCOCC6

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)NCCCN6CCOCC6

InChI

InChI=1S/C37H40N4O3/c42-36(38-19-9-20-40-22-24-44-25-23-40)33-26-32(16-17-34(33)41-21-18-28-10-7-8-15-31(28)27-41)39-37(43)35(29-11-3-1-4-12-29)30-13-5-2-6-14-30/h1-8,10-17,26,35H,9,18-25,27H2,(H,38,42)(H,39,43)