1-methyl-3-[2-oxidanylidene-2-[3-(4-phenylpiperazin-1-yl)propylamino]ethyl]indole-2-carboxylic acid

Systemtic Name: 1-methyl-3-[2-oxidanylidene-2-[3-(4-phenylpiperazin-1-yl)propylamino]ethyl]indole-2-carboxylic acid Openeye Name: 1-methyl-3-[2-oxo-2-[3-(4-phenylpiperazin-1-yl)propylamino]ethyl]indole-2-carboxylic acid CAS Name: 1-methyl-3-[2-oxo-2-[3-(4-phenyl-1-piperazinyl)propylamino]ethyl]-2-indolecarboxylic acid IUPAC Name: 1-methyl-3-[2-oxo-2-[3-(4-phenylpiperazin-1-yl)propylamino]ethyl]indole-2-carboxylic acid Traditional Name: 3-[2-keto-2-[3-(4-phenylpiperazino)propylamino]ethyl]-1-methyl-indole-2-carboxylic acid Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NCCCN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NCCCN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O3/c1-27-22-11-6-5-10-20(22)21(24(27)25(31)32)18-23(30)26-12-7-13-28-14-16-29(17-15-28)19-8-3-2-4-9-19/h2-6,8-11H,7,12-18H2,1H3,(H,26,30)(H,31,32)