[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Openeye Name: [1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-[4-(2-pyridyl)piperazin-1-yl]methanone CAS Name: [3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Traditional Name: [1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-[4-(2-pyridyl)piperazino]methanone Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CCN(CC3)C4=CC=CC=N4)CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CCN(CC3)C4=CC=CC=N4)CC5=CC=CC=C5)OC

InChI

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