2-(6-bromanyl-1H-indol-3-yl)-2-[4-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-(6-bromanyl-1H-indol-3-yl)-2-[4-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]piperazin-1-yl]acetic acid CAS Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid Traditional Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-[2-keto-2-(4-methylpiperazino)ethyl]piperazino]acetic acid Formula: C21H28BrN5O3 MolecularWeight: 478.38272

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CN2CCN(CC2)C(C3=CNC4=C3C=CC(=C4)Br)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)CN2CCN(CC2)C(C3=CNC4=C3C=CC(=C4)Br)C(=O)O

InChI

InChI=1S/C21H28BrN5O3/c1-24-4-8-26(9-5-24)19(28)14-25-6-10-27(11-7-25)20(21(29)30)17-13-23-18-12-15(22)2-3-16(17)18/h2-3,12-13,20,23H,4-11,14H2,1H3,(H,29,30)