1-[[3-bromanyl-4-(diethylamino)phenyl]methyl]-4-hexyl-piperazine-2,3-dione

Systemtic Name: 1-[[3-bromanyl-4-(diethylamino)phenyl]methyl]-4-hexyl-piperazine-2,3-dione Openeye Name: 1-[[3-bromo-4-(diethylamino)phenyl]methyl]-4-hexyl-piperazine-2,3-dione CAS Name: 1-[[3-bromo-4-(diethylamino)phenyl]methyl]-4-hexylpiperazine-2,3-dione IUPAC Name: 1-[[3-bromo-4-(diethylamino)phenyl]methyl]-4-hexylpiperazine-2,3-dione Traditional Name: 1-[3-bromo-4-(diethylamino)benzyl]-4-hexyl-piperazine-2,3-quinone Formula: C21H32BrN3O2 MolecularWeight: 438.40168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCN(C(=O)C1=O)CC2=CC(=C(C=C2)N(CC)CC)Br

Isomeric SMILES

CCCCCCN1CCN(C(=O)C1=O)CC2=CC(=C(C=C2)N(CC)CC)Br

InChI

InChI=1S/C21H32BrN3O2/c1-4-7-8-9-12-24-13-14-25(21(27)20(24)26)16-17-10-11-19(18(22)15-17)23(5-2)6-3/h10-11,15H,4-9,12-14,16H2,1-3H3