3-(4-chloranylpyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-chloranylpyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(4-chloropyrazol-1-yl)-1-[4-(3-pyridylmethyl)piperazin-1-yl]propan-1-one CAS Name: 3-(4-chloro-1-pyrazolyl)-1-[4-(3-pyridinylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-chloropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(4-chloropyrazol-1-yl)-1-[4-(3-pyridylmethyl)piperazino]propan-1-one Formula: C16H20ClN5O MolecularWeight: 333.8159

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)C(=O)CCN3C=C(C=N3)Cl

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)C(=O)CCN3C=C(C=N3)Cl

InChI

InChI=1S/C16H20ClN5O/c17-15-11-19-22(13-15)5-3-16(23)21-8-6-20(7-9-21)12-14-2-1-4-18-10-14/h1-2,4,10-11,13H,3,5-9,12H2