2-[4-[3-(4-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[3-(4-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[1-benzyl-3-(p-tolyl)pyrazole-4-carbonyl]piperazin-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[3-(4-methylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]-1-piperazinyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[1-benzyl-3-(p-tolyl)pyrazole-4-carbonyl]piperazino]-1-piperidino-ethanone Formula: C29H35N5O2 MolecularWeight: 485.6205

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CCN(CC3)CC(=O)N4CCCCC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CCN(CC3)CC(=O)N4CCCCC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H35N5O2/c1-23-10-12-25(13-11-23)28-26(21-34(30-28)20-24-8-4-2-5-9-24)29(36)33-18-16-31(17-19-33)22-27(35)32-14-6-3-7-15-32/h2,4-5,8-13,21H,3,6-7,14-20,22H2,1H3