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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-ethylhexanoylamino)-N-(2-morpholin-4-ylethyl)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-ethylhexanoylamino)-N-(2-morpholinoethyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2-ethyl-1-oxohexyl)amino]-N-[2-(4-morpholinyl)ethyl]benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-ethylhexanoylamino)-N-(2-morpholin-4-ylethyl)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-ethylhexanoylamino)-N-(2-morpholinoethyl)benzamide Formula: C30H42N4O3 MolecularWeight: 506.67948

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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)NCCN4CCOCC4

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCN4CCOCC4

InChI

InChI=1S/C30H42N4O3/c1-3-5-8-23(4-2)29(35)32-26-11-12-28(34-15-13-24-9-6-7-10-25(24)22-34)27(21-26)30(36)31-14-16-33-17-19-37-20-18-33/h6-7,9-12,21,23H,3-5,8,13-20,22H2,1-2H3,(H,31,36)(H,32,35)