2-azanyl-N-[(3-bromanyl-4,5-dihydro-1,2-oxazol-4-yl)methyl]-3-phenyl-N-[(E)-3-phenylprop-2-enoyl]propanamide

Systemtic Name: 2-azanyl-N-[(3-bromanyl-4,5-dihydro-1,2-oxazol-4-yl)methyl]-3-phenyl-N-[(E)-3-phenylprop-2-enoyl]propanamide Openeye Name: 2-amino-N-[(3-bromo-4,5-dihydroisoxazol-4-yl)methyl]-3-phenyl-N-[(E)-3-phenylprop-2-enoyl]propanamide CAS Name: 2-amino-N-[(3-bromo-4,5-dihydroisoxazol-4-yl)methyl]-N-[(E)-1-oxo-3-phenylprop-2-enyl]-3-phenylpropanamide IUPAC Name: 2-amino-N-[(3-bromo-4,5-dihydro-1,2-oxazol-4-yl)methyl]-3-phenyl-N-[(E)-3-phenylprop-2-enoyl]propanamide Traditional Name: 2-amino-N-[(3-bromo-2-isoxazolin-4-yl)methyl]-3-phenyl-N-[(E)-3-phenylacryloyl]propionamide Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=NO1)Br)CN(C(=O)C=CC2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

C1C(C(=NO1)Br)CN(C(=O)/C=C/C2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C22H22BrN3O3/c23-21-18(15-29-25-21)14-26(20(27)12-11-16-7-3-1-4-8-16)22(28)19(24)13-17-9-5-2-6-10-17/h1-12,18-19H,13-15,24H2/b12-11+