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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(hexanoylamino)-N-(2-methylpropyl)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(hexanoylamino)-N-isobutyl-benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)-5-(1-oxohexylamino)benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(hexanoylamino)-N-(2-methylpropyl)benzamide Traditional Name: 5-(caproylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isobutyl-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)NCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O2/c1-4-5-6-11-25(30)28-22-12-13-24(23(16-22)26(31)27-17-19(2)3)29-15-14-20-9-7-8-10-21(20)18-29/h7-10,12-13,16,19H,4-6,11,14-15,17-18H2,1-3H3,(H,27,31)(H,28,30)