[5-(4-bromophenyl)-1,2-oxazol-3-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [5-(4-bromophenyl)-1,2-oxazol-3-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[5-(4-bromophenyl)isoxazol-3-yl]methanone CAS Name: [5-(4-bromophenyl)-3-isoxazolyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[5-(4-bromophenyl)-1,2-oxazol-3-yl]methanone Traditional Name: (4-benzylpiperazino)-[5-(4-bromophenyl)isoxazol-3-yl]methanone Formula: C21H20BrN3O2 MolecularWeight: 426.3064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=NOC(=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=NOC(=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H20BrN3O2/c22-18-8-6-17(7-9-18)20-14-19(23-27-20)21(26)25-12-10-24(11-13-25)15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2