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

Systemtic Name: N-(1-phenylethyl)-2-pyrrolidin-1-yl-5-(3,5,5-trimethylhexanoylamino)benzamide Openeye Name: N-(1-phenylethyl)-2-pyrrolidin-1-yl-5-(3,5,5-trimethylhexanoylamino)benzamide CAS Name: N-(1-phenylethyl)-2-(1-pyrrolidinyl)-5-[(3,5,5-trimethyl-1-oxohexyl)amino]benzamide IUPAC Name: N-(1-phenylethyl)-2-pyrrolidin-1-yl-5-(3,5,5-trimethylhexanoylamino)benzamide Traditional Name: N-(1-phenylethyl)-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)NC(C)C3=CC=CC=C3)CC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H39N3O2/c1-20(19-28(3,4)5)17-26(32)30-23-13-14-25(31-15-9-10-16-31)24(18-23)27(33)29-21(2)22-11-7-6-8-12-22/h6-8,11-14,18,20-21H,9-10,15-17,19H2,1-5H3,(H,29,33)(H,30,32)