N-[1-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-3-oxidanylidene-propan-2-yl]-4-phenyl-piperazine-1-carboxamide

Systemtic Name: N-[1-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-3-oxidanylidene-propan-2-yl]-4-phenyl-piperazine-1-carboxamide Openeye Name: N-[1-[(3,5-dibromo-4-hydroxy-phenyl)methyl]-2-oxo-ethyl]-4-phenyl-piperazine-1-carboxamide CAS Name: N-[1-(3,5-dibromo-4-hydroxyphenyl)-3-oxopropan-2-yl]-4-phenyl-1-piperazinecarboxamide IUPAC Name: N-[1-(3,5-dibromo-4-hydroxyphenyl)-3-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide Traditional Name: N-[1-(3,5-dibromo-4-hydroxy-benzyl)-2-keto-ethyl]-4-phenyl-piperazine-1-carboxamide Formula: C20H21Br2N3O3 MolecularWeight: 511.20704

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)NC(CC3=CC(=C(C(=C3)Br)O)Br)C=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)NC(CC3=CC(=C(C(=C3)Br)O)Br)C=O

InChI

InChI=1S/C20H21Br2N3O3/c21-17-11-14(12-18(22)19(17)27)10-15(13-26)23-20(28)25-8-6-24(7-9-25)16-4-2-1-3-5-16/h1-5,11-13,15,27H,6-10H2,(H,23,28)