1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-(4-pyrazin-2-ylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-(4-pyrazin-2-ylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-(4-pyrazin-2-ylpiperazin-1-yl)butane-1,4-dione CAS Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-[4-(2-pyrazinyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-(4-pyrazin-2-ylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-[(5R)-5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]-4-(4-pyrazin-2-ylpiperazino)butane-1,4-dione Formula: C28H30N6O3 MolecularWeight: 498.5762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)N3CCN(CC3)C4=NC=CN=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=NN2C(=O)CCC(=O)N3CCN(CC3)C4=NC=CN=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H30N6O3/c1-37-23-9-7-22(8-10-23)25-19-24(21-5-3-2-4-6-21)31-34(25)28(36)12-11-27(35)33-17-15-32(16-18-33)26-20-29-13-14-30-26/h2-10,13-14,20,25H,11-12,15-19H2,1H3/t25-/m1/s1