N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-ethylhexanoylamino)benzamide

Systemtic Name: N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-ethylhexanoylamino)benzamide Openeye Name: N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-ethylhexanoylamino)benzamide CAS Name: N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2-ethyl-1-oxohexyl)amino]benzamide IUPAC Name: N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-ethylhexanoylamino)benzamide Traditional Name: N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-ethylhexanoylamino)benzamide Formula: C30H41N3O2 MolecularWeight: 475.66544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NC4CCCCC4

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NC4CCCCC4

InChI

InChI=1S/C30H41N3O2/c1-3-5-11-22(4-2)29(34)32-26-16-17-28(33-19-18-23-12-9-10-13-24(23)21-33)27(20-26)30(35)31-25-14-7-6-8-15-25/h9-10,12-13,16-17,20,22,25H,3-8,11,14-15,18-19,21H2,1-2H3,(H,31,35)(H,32,34)