ethyl 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-carboxylate CAS Name: 1-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-carboxylate Traditional Name: 1-[4-[4-(2-pyrimidyl)piperazino]butyl]pyrazole-4-carboxylic acid ethyl ester Formula: C18H26N6O2 MolecularWeight: 358.43804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1)CCCCN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=CN(N=C1)CCCCN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H26N6O2/c1-2-26-17(25)16-14-21-24(15-16)9-4-3-8-22-10-12-23(13-11-22)18-19-6-5-7-20-18/h5-7,14-15H,2-4,8-13H2,1H3