4-[2-(3-bromanylphenoxy)ethanoyl-propan-2-yl-amino]-N-(4-fluorophenyl)-1-propan-2-yl-piperidine-4-carboxamide

Systemtic Name: 4-[2-(3-bromanylphenoxy)ethanoyl-propan-2-yl-amino]-N-(4-fluorophenyl)-1-propan-2-yl-piperidine-4-carboxamide Openeye Name: 4-[[2-(3-bromophenoxy)acetyl]-isopropyl-amino]-N-(4-fluorophenyl)-1-isopropyl-piperidine-4-carboxamide CAS Name: 4-[[2-(3-bromophenoxy)-1-oxoethyl]-propan-2-ylamino]-N-(4-fluorophenyl)-1-propan-2-yl-4-piperidinecarboxamide IUPAC Name: 4-[[2-(3-bromophenoxy)acetyl]-propan-2-ylamino]-N-(4-fluorophenyl)-1-propan-2-ylpiperidine-4-carboxamide Traditional Name: 4-[[2-(3-bromophenoxy)acetyl]-isopropyl-amino]-N-(4-fluorophenyl)-1-isopropyl-isonipecotamide Formula: C26H33BrFN3O3 MolecularWeight: 534.460923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)(C(=O)NC2=CC=C(C=C2)F)N(C(C)C)C(=O)COC3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)N1CCC(CC1)(C(=O)NC2=CC=C(C=C2)F)N(C(C)C)C(=O)COC3=CC(=CC=C3)Br

InChI

InChI=1S/C26H33BrFN3O3/c1-18(2)30-14-12-26(13-15-30,25(33)29-22-10-8-21(28)9-11-22)31(19(3)4)24(32)17-34-23-7-5-6-20(27)16-23/h5-11,16,18-19H,12-15,17H2,1-4H3,(H,29,33)