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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-5-(3,5,5-trimethylhexanoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-5-(3,5,5-trimethylhexanoylamino)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-5-[(3,5,5-trimethyl-1-oxohexyl)amino]benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-5-(3,5,5-trimethylhexanoylamino)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-5-(3,5,5-trimethylhexanoylamino)benzamide Formula: C33H41N3O2 MolecularWeight: 511.69754

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCC4=CC=CC=C4)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCC4=CC=CC=C4)CC(C)(C)C

InChI

InChI=1S/C33H41N3O2/c1-24(22-33(2,3)4)20-31(37)35-28-14-15-30(36-19-17-26-12-8-9-13-27(26)23-36)29(21-28)32(38)34-18-16-25-10-6-5-7-11-25/h5-15,21,24H,16-20,22-23H2,1-4H3,(H,34,38)(H,35,37)