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

Systemtic Name: 3-[1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidin-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-[1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-3-piperidyl]propan-1-one CAS Name: 3-[1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-3-piperidinyl]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-[1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-3-piperidyl]propan-1-one Formula: C26H39N5O MolecularWeight: 437.62076

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CN2CCCC(C2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C=C(C(=N1)C)CN2CCCC(C2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H39N5O/c1-3-31-21-25(22(2)27-31)20-29-13-7-10-24(19-29)11-12-26(32)30-16-14-28(15-17-30)18-23-8-5-4-6-9-23/h4-6,8-9,21,24H,3,7,10-20H2,1-2H3