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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(dodecanoylamino)-N-(3-morpholin-4-ylpropyl)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(dodecanoylamino)-N-(3-morpholinopropyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(4-morpholinyl)propyl]-5-(1-oxododecylamino)benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(dodecanoylamino)-N-(3-morpholin-4-ylpropyl)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(lauroylamino)-N-(3-morpholinopropyl)benzamide Formula: C35H52N4O3 MolecularWeight: 576.81238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H52N4O3/c1-2-3-4-5-6-7-8-9-10-16-34(40)37-31-17-18-33(39-22-19-29-14-11-12-15-30(29)28-39)32(27-31)35(41)36-20-13-21-38-23-25-42-26-24-38/h11-12,14-15,17-18,27H,2-10,13,16,19-26,28H2,1H3,(H,36,41)(H,37,40)