5-bromanyl-3-[(4-methylpiperazin-1-yl)methyl]-2-oxidanyl-benzaldehyde

Systemtic Name: 5-bromanyl-3-[(4-methylpiperazin-1-yl)methyl]-2-oxidanyl-benzaldehyde Openeye Name: 5-bromo-2-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]benzaldehyde CAS Name: 5-bromo-2-hydroxy-3-[(4-methyl-1-piperazinyl)methyl]benzaldehyde IUPAC Name: 5-bromo-2-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]benzaldehyde Traditional Name: 5-bromo-2-hydroxy-3-[(4-methylpiperazino)methyl]benzaldehyde Formula: C13H17BrN2O2 MolecularWeight: 313.19028

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=C(C(=CC(=C2)Br)C=O)O

Isomeric SMILES

CN1CCN(CC1)CC2=C(C(=CC(=C2)Br)C=O)O

InChI

InChI=1S/C13H17BrN2O2/c1-15-2-4-16(5-3-15)8-10-6-12(14)7-11(9-17)13(10)18/h6-7,9,18H,2-5,8H2,1H3