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

Systemtic Name: 4-[[3-(3-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-heptyl-piperidine-4-carboxamide Openeye Name: 4-[[3-(3-bromophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-N-heptyl-piperidine-4-carboxamide CAS Name: 4-[[3-(3-bromophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-N-heptyl-4-piperidinecarboxamide IUPAC Name: 4-[[3-(3-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-heptylpiperidine-4-carboxamide Traditional Name: 4-[[3-(3-bromophenyl)-2-isoxazolin-5-yl]methyl]-N-heptyl-isonipecotamide Formula: C23H34BrN3O2 MolecularWeight: 464.43896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)C1(CCNCC1)CC2CC(=NO2)C3=CC(=CC=C3)Br

Isomeric SMILES

CCCCCCCNC(=O)C1(CCNCC1)CC2CC(=NO2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C23H34BrN3O2/c1-2-3-4-5-6-12-26-22(28)23(10-13-25-14-11-23)17-20-16-21(27-29-20)18-8-7-9-19(24)15-18/h7-9,15,20,25H,2-6,10-14,16-17H2,1H3,(H,26,28)