5-cyclohexyl-2-[3-[4-(4-methylpyridin-2-yl)piperazin-1-yl]propyl]-1-phenyl-pyrazol-3-one

Systemtic Name: 5-cyclohexyl-2-[3-[4-(4-methylpyridin-2-yl)piperazin-1-yl]propyl]-1-phenyl-pyrazol-3-one Openeye Name: 5-cyclohexyl-2-[3-[4-(4-methyl-2-pyridyl)piperazin-1-yl]propyl]-1-phenyl-pyrazol-3-one CAS Name: 5-cyclohexyl-2-[3-[4-(4-methyl-2-pyridinyl)-1-piperazinyl]propyl]-1-phenyl-3-pyrazolone IUPAC Name: 5-cyclohexyl-2-[3-[4-(4-methylpyridin-2-yl)piperazin-1-yl]propyl]-1-phenylpyrazol-3-one Traditional Name: 5-cyclohexyl-2-[3-[4-(4-methyl-2-pyridyl)piperazino]propyl]-1-phenyl-3-pyrazolin-3-one Formula: C28H37N5O MolecularWeight: 459.62628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2CCN(CC2)CCCN3C(=O)C=C(N3C4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

CC1=CC(=NC=C1)N2CCN(CC2)CCCN3C(=O)C=C(N3C4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C28H37N5O/c1-23-13-14-29-27(21-23)31-19-17-30(18-20-31)15-8-16-32-28(34)22-26(24-9-4-2-5-10-24)33(32)25-11-6-3-7-12-25/h3,6-7,11-14,21-22,24H,2,4-5,8-10,15-20H2,1H3