[3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: [3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Openeye Name: [3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-[4-(4-pyridylmethyl)piperazin-1-yl]methanone CAS Name: [3-(2,5-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methanone IUPAC Name: [3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Traditional Name: [3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-[4-(4-pyridylmethyl)piperazino]methanone Formula: C28H29N5O3 MolecularWeight: 483.56156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=NN(C=C2C(=O)N3CCN(CC3)CC4=CC=NC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=NN(C=C2C(=O)N3CCN(CC3)CC4=CC=NC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N5O3/c1-35-23-8-9-26(36-2)24(18-23)27-25(20-33(30-27)22-6-4-3-5-7-22)28(34)32-16-14-31(15-17-32)19-21-10-12-29-13-11-21/h3-13,18,20H,14-17,19H2,1-2H3