ethyl 2-[4-[3-(3-cyano-1H-indol-5-yl)propyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[4-[3-(3-cyano-1H-indol-5-yl)propyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[4-[3-(3-cyano-1H-indol-5-yl)propyl]piperazin-1-yl]thiazole-4-carboxylate CAS Name: 2-[4-[3-(3-cyano-1H-indol-5-yl)propyl]-1-piperazinyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-(3-cyano-1H-indol-5-yl)propyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[4-[3-(3-cyano-1H-indol-5-yl)propyl]piperazino]thiazole-4-carboxylic acid ethyl ester Formula: C22H25N5O2S MolecularWeight: 423.5312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)N2CCN(CC2)CCCC3=CC4=C(C=C3)NC=C4C#N

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)N2CCN(CC2)CCCC3=CC4=C(C=C3)NC=C4C#N

InChI

InChI=1S/C22H25N5O2S/c1-2-29-21(28)20-15-30-22(25-20)27-10-8-26(9-11-27)7-3-4-16-5-6-19-18(12-16)17(13-23)14-24-19/h5-6,12,14-15,24H,2-4,7-11H2,1H3