1-[5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 1-[5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-benzylpiperazin-1-yl)-1-[5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-benzylpiperazin-1-yl)-1-[5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-(4-benzylpiperazino)-1-[3-(3-methoxyphenyl)-5-phenyl-2-pyrazolin-1-yl]ethanone Formula: C29H32N4O2 MolecularWeight: 468.58998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CC=C3)C(=O)CN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CC=C3)C(=O)CN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H32N4O2/c1-35-26-14-8-13-25(19-26)27-20-28(24-11-6-3-7-12-24)33(30-27)29(34)22-32-17-15-31(16-18-32)21-23-9-4-2-5-10-23/h2-14,19,28H,15-18,20-22H2,1H3