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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)-5-(3,5,5-trimethylhexanoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-pyridylmethyl)-5-(3,5,5-trimethylhexanoylamino)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-pyridinylmethyl)-5-[(3,5,5-trimethyl-1-oxohexyl)amino]benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)-5-(3,5,5-trimethylhexanoylamino)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-pyridylmethyl)-5-(3,5,5-trimethylhexanoylamino)benzamide Formula: C31H38N4O2 MolecularWeight: 498.65902

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCC4=CN=CC=C4)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCC4=CN=CC=C4)CC(C)(C)C

InChI

InChI=1S/C31H38N4O2/c1-22(18-31(2,3)4)16-29(36)34-26-11-12-28(35-15-13-24-9-5-6-10-25(24)21-35)27(17-26)30(37)33-20-23-8-7-14-32-19-23/h5-12,14,17,19,22H,13,15-16,18,20-21H2,1-4H3,(H,33,37)(H,34,36)