3-[1-(5-ethyl-2-methyl-pyrazol-3-yl)carbonylpiperidin-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[1-(5-ethyl-2-methyl-pyrazol-3-yl)carbonylpiperidin-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-[1-(5-ethyl-2-methyl-pyrazole-3-carbonyl)-3-piperidyl]propan-1-one CAS Name: 3-[1-[(5-ethyl-2-methyl-3-pyrazolyl)-oxomethyl]-3-piperidinyl]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-[1-(5-ethyl-2-methylpyrazole-3-carbonyl)piperidin-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-[1-(5-ethyl-2-methyl-pyrazole-3-carbonyl)-3-piperidyl]propan-1-one Formula: C26H37N5O2 MolecularWeight: 451.60428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)C(=O)N2CCCC(C2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCC1=NN(C(=C1)C(=O)N2CCCC(C2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H37N5O2/c1-3-23-18-24(28(2)27-23)26(33)31-13-7-10-22(20-31)11-12-25(32)30-16-14-29(15-17-30)19-21-8-5-4-6-9-21/h4-6,8-9,18,22H,3,7,10-17,19-20H2,1-2H3