5-chloranyl-3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid

Systemtic Name: 5-chloranyl-3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid Openeye Name: 5-chloro-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid CAS Name: 5-chloro-3-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1H-indole-2-carboxylic acid IUPAC Name: 5-chloro-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid Traditional Name: 5-chloro-3-[2-keto-2-(4-phenylpiperazino)ethyl]-1H-indole-2-carboxylic acid Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CC3=C(NC4=C3C=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CC3=C(NC4=C3C=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C21H20ClN3O3/c22-14-6-7-18-16(12-14)17(20(23-18)21(27)28)13-19(26)25-10-8-24(9-11-25)15-4-2-1-3-5-15/h1-7,12,23H,8-11,13H2,(H,27,28)