5-(butanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)benzamide

Systemtic Name: 5-(butanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)benzamide Openeye Name: 5-(butanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-(1-oxobutylamino)benzamide IUPAC Name: 5-(butanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)benzamide Traditional Name: 5-butyramido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)benzamide Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCCOCC

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCCOCC

InChI

InChI=1S/C25H33N3O3/c1-3-8-24(29)27-21-11-12-23(22(17-21)25(30)26-14-7-16-31-4-2)28-15-13-19-9-5-6-10-20(19)18-28/h5-6,9-12,17H,3-4,7-8,13-16,18H2,1-2H3,(H,26,30)(H,27,29)