2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(hexanoylamino)-N-propan-2-yl-benzamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(hexanoylamino)-N-propan-2-yl-benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(hexanoylamino)-N-isopropyl-benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-oxohexylamino)-N-propan-2-ylbenzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(hexanoylamino)-N-propan-2-ylbenzamide Traditional Name: 5-(caproylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isopropyl-benzamide Formula: C25H33N3O2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O2/c1-4-5-6-11-24(29)27-21-12-13-23(22(16-21)25(30)26-18(2)3)28-15-14-19-9-7-8-10-20(19)17-28/h7-10,12-13,16,18H,4-6,11,14-15,17H2,1-3H3,(H,26,30)(H,27,29)