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

Systemtic Name: 5-chloranyl-3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid Openeye Name: 5-chloro-3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxo-ethyl]-1H-indole-2-carboxylic acid CAS Name: 5-chloro-3-[2-(4-cyclohexyl-1-piperazinyl)-2-oxoethyl]-1H-indole-2-carboxylic acid IUPAC Name: 5-chloro-3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-1H-indole-2-carboxylic acid Traditional Name: 5-chloro-3-[2-(4-cyclohexylpiperazino)-2-keto-ethyl]-1H-indole-2-carboxylic acid Formula: C21H26ClN3O3 MolecularWeight: 403.90244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(=O)CC3=C(NC4=C3C=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(=O)CC3=C(NC4=C3C=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C21H26ClN3O3/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/h6-7,12,15,23H,1-5,8-11,13H2,(H,27,28)