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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-ethylhexanoylamino)-N-phenethyl-benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-ethylhexanoylamino)-N-phenethyl-benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2-ethyl-1-oxohexyl)amino]-N-phenethylbenzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-ethylhexanoylamino)-N-phenethylbenzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-ethylhexanoylamino)-N-phenethyl-benzamide Formula: C32H39N3O2 MolecularWeight: 497.67096

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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)NCCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C32H39N3O2/c1-3-5-13-25(4-2)31(36)34-28-16-17-30(35-21-19-26-14-9-10-15-27(26)23-35)29(22-28)32(37)33-20-18-24-11-7-6-8-12-24/h6-12,14-17,22,25H,3-5,13,18-21,23H2,1-2H3,(H,33,37)(H,34,36)