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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-ethylhexanoylamino)-N-(3-morpholin-4-ylpropyl)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-ethylhexanoylamino)-N-(3-morpholinopropyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2-ethyl-1-oxohexyl)amino]-N-[3-(4-morpholinyl)propyl]benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-ethylhexanoylamino)-N-(3-morpholin-4-ylpropyl)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-ethylhexanoylamino)-N-(3-morpholinopropyl)benzamide Formula: C31H44N4O3 MolecularWeight: 520.70606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCCN4CCOCC4

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCCN4CCOCC4

InChI

InChI=1S/C31H44N4O3/c1-3-5-9-24(4-2)30(36)33-27-12-13-29(35-17-14-25-10-6-7-11-26(25)23-35)28(22-27)31(37)32-15-8-16-34-18-20-38-21-19-34/h6-7,10-13,22,24H,3-5,8-9,14-21,23H2,1-2H3,(H,32,37)(H,33,36)