2-[[(4-bromophenyl)carbonyl-butan-2-yl-amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide

Systemtic Name: 2-[[(4-bromophenyl)carbonyl-butan-2-yl-amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide Openeye Name: 2-[[(4-bromobenzoyl)-sec-butyl-amino]methyl]-N-sec-butyl-oxazole-4-carboxamide CAS Name: 2-[[[(4-bromophenyl)-oxomethyl]-butan-2-ylamino]methyl]-N-butan-2-yl-4-oxazolecarboxamide IUPAC Name: 2-[[(4-bromobenzoyl)-butan-2-ylamino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide Traditional Name: 2-[[(4-bromobenzoyl)-sec-butyl-amino]methyl]-N-sec-butyl-oxazole-4-carboxamide Formula: C20H26BrN3O3 MolecularWeight: 436.34274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=COC(=N1)CN(C(C)CC)C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCC(C)NC(=O)C1=COC(=N1)CN(C(C)CC)C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H26BrN3O3/c1-5-13(3)22-19(25)17-12-27-18(23-17)11-24(14(4)6-2)20(26)15-7-9-16(21)10-8-15/h7-10,12-14H,5-6,11H2,1-4H3,(H,22,25)