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

Systemtic Name: 4-[[3-(3-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-heptyl-1-(1-methylcyclopropyl)carbonyl-piperidine-4-carboxamide Openeye Name: 4-[[3-(3-bromophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-N-heptyl-1-(1-methylcyclopropanecarbonyl)piperidine-4-carboxamide CAS Name: 4-[[3-(3-bromophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-N-heptyl-1-[(1-methylcyclopropyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 4-[[3-(3-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-heptyl-1-(1-methylcyclopropanecarbonyl)piperidine-4-carboxamide Traditional Name: 4-[[3-(3-bromophenyl)-2-isoxazolin-5-yl]methyl]-N-heptyl-1-(1-methylcyclopropanecarbonyl)isonipecotamide Formula: C28H40BrN3O3 MolecularWeight: 546.5395

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)C1(CCN(CC1)C(=O)C2(CC2)C)CC3CC(=NO3)C4=CC(=CC=C4)Br

Isomeric SMILES

CCCCCCCNC(=O)C1(CCN(CC1)C(=O)C2(CC2)C)CC3CC(=NO3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C28H40BrN3O3/c1-3-4-5-6-7-15-30-25(33)28(13-16-32(17-14-28)26(34)27(2)11-12-27)20-23-19-24(31-35-23)21-9-8-10-22(29)18-21/h8-10,18,23H,3-7,11-17,19-20H2,1-2H3,(H,30,33)