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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-ethylhexanoylamino)-N-(2-methylpropyl)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-ethylhexanoylamino)-N-isobutyl-benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2-ethyl-1-oxohexyl)amino]-N-(2-methylpropyl)benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-ethylhexanoylamino)-N-(2-methylpropyl)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-ethylhexanoylamino)-N-isobutyl-benzamide Formula: C28H39N3O2 MolecularWeight: 449.62816

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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)NCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H39N3O2/c1-5-7-10-21(6-2)27(32)30-24-13-14-26(25(17-24)28(33)29-18-20(3)4)31-16-15-22-11-8-9-12-23(22)19-31/h8-9,11-14,17,20-21H,5-7,10,15-16,18-19H2,1-4H3,(H,29,33)(H,30,32)