N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(octanoylamino)benzamide

Systemtic Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(octanoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(octanoylamino)-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-oxooctylamino)benzamide IUPAC Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(octanoylamino)benzamide Traditional Name: 5-(caprylylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-sec-butyl-benzamide Formula: C28H39N3O2 MolecularWeight: 449.62816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NC(C)CC

Isomeric SMILES

CCCCCCCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NC(C)CC

InChI

InChI=1S/C28H39N3O2/c1-4-6-7-8-9-14-27(32)30-24-15-16-26(25(19-24)28(33)29-21(3)5-2)31-18-17-22-12-10-11-13-23(22)20-31/h10-13,15-16,19,21H,4-9,14,17-18,20H2,1-3H3,(H,29,33)(H,30,32)