[3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [3-(3-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C26H26N6O2 MolecularWeight: 454.52364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N6O2/c1-34-22-10-5-9-21(17-22)24-23(19-32(29-24)18-20-7-3-2-4-8-20)25(33)30-13-15-31(16-14-30)26-27-11-6-12-28-26/h2-12,17,19H,13-16,18H2,1H3