4-(3-bromanylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(3-bromanylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(3-bromophenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one CAS Name: 4-(3-bromophenoxy)-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(3-bromophenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(3-bromophenoxy)-1-[4-(4-nitrophenyl)piperazino]butan-1-one Formula: C20H22BrN3O4 MolecularWeight: 448.31038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCCOC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H22BrN3O4/c21-16-3-1-4-19(15-16)28-14-2-5-20(25)23-12-10-22(11-13-23)17-6-8-18(9-7-17)24(26)27/h1,3-4,6-9,15H,2,5,10-14H2