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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-(heptanoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-(heptanoylamino)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-(1-oxoheptylamino)benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-(heptanoylamino)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(enanthylamino)-N-(3-ethoxypropyl)benzamide Formula: C28H39N3O3 MolecularWeight: 465.62756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39N3O3/c1-3-5-6-7-13-27(32)30-24-14-15-26(25(20-24)28(33)29-17-10-19-34-4-2)31-18-16-22-11-8-9-12-23(22)21-31/h8-9,11-12,14-15,20H,3-7,10,13,16-19,21H2,1-2H3,(H,29,33)(H,30,32)