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

Systemtic Name: 2-(6-bromanyl-1H-indol-3-yl)-2-[4-[2-(2-dimethylaminoethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-[2-(2-dimethylaminoethylamino)-2-oxo-ethyl]piperazin-1-yl]acetic acid CAS Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-[2-(2-dimethylaminoethylamino)-2-oxoethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-[2-(2-dimethylaminoethylamino)-2-oxoethyl]piperazin-1-yl]acetic acid Traditional Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-[2-(2-dimethylaminoethylamino)-2-keto-ethyl]piperazino]acetic acid Formula: C20H28BrN5O3 MolecularWeight: 466.37202

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)CN1CCN(CC1)C(C2=CNC3=C2C=CC(=C3)Br)C(=O)O

Isomeric SMILES

CN(C)CCNC(=O)CN1CCN(CC1)C(C2=CNC3=C2C=CC(=C3)Br)C(=O)O

InChI

InChI=1S/C20H28BrN5O3/c1-24(2)6-5-22-18(27)13-25-7-9-26(10-8-25)19(20(28)29)16-12-23-17-11-14(21)3-4-15(16)17/h3-4,11-12,19,23H,5-10,13H2,1-2H3,(H,22,27)(H,28,29)