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

Systemtic Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(hexanoylamino)benzamide Openeye Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(hexanoylamino)benzamide CAS Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-oxohexylamino)benzamide IUPAC Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(hexanoylamino)benzamide Traditional Name: 5-(caproylamino)-N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NC4CC4

Isomeric SMILES

CCCCCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NC4CC4

InChI

InChI=1S/C25H31N3O2/c1-2-3-4-9-24(29)26-21-12-13-23(22(16-21)25(30)27-20-10-11-20)28-15-14-18-7-5-6-8-19(18)17-28/h5-8,12-13,16,20H,2-4,9-11,14-15,17H2,1H3,(H,26,29)(H,27,30)