ethyl 5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-1-ethyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[3-[4-(benzothiophen-4-yl)piperazin-1-yl]propoxy]-1-ethyl-pyrazole-3-carboxylate CAS Name: 5-[3-[4-(1-benzothiophen-4-yl)-1-piperazinyl]propoxy]-1-ethyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-1-ethylpyrazole-3-carboxylate Traditional Name: 5-[3-[4-(benzothiophen-4-yl)piperazino]propoxy]-1-ethyl-pyrazole-3-carboxylic acid ethyl ester Formula: C23H30N4O3S MolecularWeight: 442.5743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C(=O)OCC)OCCCN2CCN(CC2)C3=C4C=CSC4=CC=C3

Isomeric SMILES

CCN1C(=CC(=N1)C(=O)OCC)OCCCN2CCN(CC2)C3=C4C=CSC4=CC=C3

InChI

InChI=1S/C23H30N4O3S/c1-3-27-22(17-19(24-27)23(28)29-4-2)30-15-6-10-25-11-13-26(14-12-25)20-7-5-8-21-18(20)9-16-31-21/h5,7-9,16-17H,3-4,6,10-15H2,1-2H3