N-phenethyl-2-pyrrolidin-1-yl-5-(3,5,5-trimethylhexanoylamino)benzamide

Systemtic Name: N-phenethyl-2-pyrrolidin-1-yl-5-(3,5,5-trimethylhexanoylamino)benzamide Openeye Name: N-phenethyl-2-pyrrolidin-1-yl-5-(3,5,5-trimethylhexanoylamino)benzamide CAS Name: N-phenethyl-2-(1-pyrrolidinyl)-5-[(3,5,5-trimethyl-1-oxohexyl)amino]benzamide IUPAC Name: N-phenethyl-2-pyrrolidin-1-yl-5-(3,5,5-trimethylhexanoylamino)benzamide Traditional Name: N-phenethyl-2-pyrrolidino-5-(3,5,5-trimethylhexanoylamino)benzamide Formula: C28H39N3O2 MolecularWeight: 449.62816

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC(=C(C=C1)N2CCCC2)C(=O)NCCC3=CC=CC=C3)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)NC1=CC(=C(C=C1)N2CCCC2)C(=O)NCCC3=CC=CC=C3)CC(C)(C)C

InChI

InChI=1S/C28H39N3O2/c1-21(20-28(2,3)4)18-26(32)30-23-12-13-25(31-16-8-9-17-31)24(19-23)27(33)29-15-14-22-10-6-5-7-11-22/h5-7,10-13,19,21H,8-9,14-18,20H2,1-4H3,(H,29,33)(H,30,32)