4-[[3-(3-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-cyclopentylcarbonyl-N-heptyl-piperidine-4-carboxamide

Systemtic Name: 4-[[3-(3-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-cyclopentylcarbonyl-N-heptyl-piperidine-4-carboxamide Openeye Name: 4-[[3-(3-bromophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-1-(cyclopentanecarbonyl)-N-heptyl-piperidine-4-carboxamide CAS Name: 4-[[3-(3-bromophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-1-[cyclopentyl(oxo)methyl]-N-heptyl-4-piperidinecarboxamide IUPAC Name: 4-[[3-(3-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-(cyclopentanecarbonyl)-N-heptylpiperidine-4-carboxamide Traditional Name: 4-[[3-(3-bromophenyl)-2-isoxazolin-5-yl]methyl]-1-(cyclopentanecarbonyl)-N-heptyl-isonipecotamide Formula: C29H42BrN3O3 MolecularWeight: 560.56608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)C1(CCN(CC1)C(=O)C2CCCC2)CC3CC(=NO3)C4=CC(=CC=C4)Br

Isomeric SMILES

CCCCCCCNC(=O)C1(CCN(CC1)C(=O)C2CCCC2)CC3CC(=NO3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C29H42BrN3O3/c1-2-3-4-5-8-16-31-28(35)29(14-17-33(18-15-29)27(34)22-10-6-7-11-22)21-25-20-26(32-36-25)23-12-9-13-24(30)19-23/h9,12-13,19,22,25H,2-8,10-11,14-18,20-21H2,1H3,(H,31,35)