methyl 3-phenyl-4-[4-(phenylmethyl)piperazin-1-yl]-1H-pyrazole-5-carboxylate

Systemtic Name: methyl 3-phenyl-4-[4-(phenylmethyl)piperazin-1-yl]-1H-pyrazole-5-carboxylate Openeye Name: methyl 4-(4-benzylpiperazin-1-yl)-3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-4-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)-3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 4-(4-benzylpiperazino)-3-phenyl-1H-pyrazole-5-carboxylic acid methyl ester Formula: C22H24N4O2 MolecularWeight: 376.45156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=NN1)C2=CC=CC=C2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C(=NN1)C2=CC=CC=C2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2/c1-28-22(27)20-21(19(23-24-20)18-10-6-3-7-11-18)26-14-12-25(13-15-26)16-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3,(H,23,24)