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

Systemtic Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3,5,5-trimethylhexanoylamino)benzamide Openeye Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3,5,5-trimethylhexanoylamino)benzamide CAS Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3,5,5-trimethyl-1-oxohexyl)amino]benzamide IUPAC Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3,5,5-trimethylhexanoylamino)benzamide Traditional Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3,5,5-trimethylhexanoylamino)benzamide Formula: C28H37N3O2 MolecularWeight: 447.61228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37N3O2/c1-19(17-28(2,3)4)15-26(32)29-23-11-12-25(24(16-23)27(33)30-22-9-10-22)31-14-13-20-7-5-6-8-21(20)18-31/h5-8,11-12,16,19,22H,9-10,13-15,17-18H2,1-4H3,(H,29,32)(H,30,33)