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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3,3-dimethylbutanoylamino)-N-(3-morpholin-4-ylpropyl)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3,3-dimethylbutanoylamino)-N-(3-morpholinopropyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3,3-dimethyl-1-oxobutyl)amino]-N-[3-(4-morpholinyl)propyl]benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3,3-dimethylbutanoylamino)-N-(3-morpholin-4-ylpropyl)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3,3-dimethylbutanoylamino)-N-(3-morpholinopropyl)benzamide Formula: C29H40N4O3 MolecularWeight: 492.6529

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N4O3/c1-29(2,3)20-27(34)31-24-9-10-26(33-14-11-22-7-4-5-8-23(22)21-33)25(19-24)28(35)30-12-6-13-32-15-17-36-18-16-32/h4-5,7-10,19H,6,11-18,20-21H2,1-3H3,(H,30,35)(H,31,34)