N-[(2R)-butan-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(hexanoylamino)benzamide

Systemtic Name: N-[(2R)-butan-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(hexanoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(hexanoylamino)-N-[(1R)-1-methylpropyl]benzamide CAS Name: N-[(2R)-butan-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-oxohexylamino)benzamide IUPAC Name: N-[(2R)-butan-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(hexanoylamino)benzamide Traditional Name: 5-(caproylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R)-1-methylpropyl]benzamide Formula: C26H35N3O2 MolecularWeight: 421.575

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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)CC

Isomeric SMILES

CCCCCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)N[C@H](C)CC

InChI

InChI=1S/C26H35N3O2/c1-4-6-7-12-25(30)28-22-13-14-24(23(17-22)26(31)27-19(3)5-2)29-16-15-20-10-8-9-11-21(20)18-29/h8-11,13-14,17,19H,4-7,12,15-16,18H2,1-3H3,(H,27,31)(H,28,30)/t19-/m1/s1