2-(4-chloranylpyrazol-1-yl)-1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]butan-1-one

Systemtic Name: 2-(4-chloranylpyrazol-1-yl)-1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]butan-1-one Openeye Name: 2-(4-chloropyrazol-1-yl)-1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]butan-1-one CAS Name: 2-(4-chloro-1-pyrazolyl)-1-[4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-piperazinyl]-1-butanone IUPAC Name: 2-(4-chloropyrazol-1-yl)-1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]butan-1-one Traditional Name: 2-(4-chloropyrazol-1-yl)-1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazino]butan-1-one Formula: C17H25ClN6O MolecularWeight: 364.873

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)CC2=CN(N=C2C)C)N3C=C(C=N3)Cl

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)CC2=CN(N=C2C)C)N3C=C(C=N3)Cl

InChI

InChI=1S/C17H25ClN6O/c1-4-16(24-12-15(18)9-19-24)17(25)23-7-5-22(6-8-23)11-14-10-21(3)20-13(14)2/h9-10,12,16H,4-8,11H2,1-3H3