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

Systemtic Name: 2-(1H-indol-3-yl)-2-[4-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-(1H-indol-3-yl)-2-[4-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]piperazin-1-yl]acetic acid CAS Name: 2-(1H-indol-3-yl)-2-[4-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-(1H-indol-3-yl)-2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid Traditional Name: 2-(1H-indol-3-yl)-2-[4-[2-keto-2-(4-methylpiperazino)ethyl]piperazino]acetic acid Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CN2CCN(CC2)C(C3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)CN2CCN(CC2)C(C3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C21H29N5O3/c1-23-6-10-25(11-7-23)19(27)15-24-8-12-26(13-9-24)20(21(28)29)17-14-22-18-5-3-2-4-16(17)18/h2-5,14,20,22H,6-13,15H2,1H3,(H,28,29)