2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]butan-1-one

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]butan-1-one Openeye Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-1-[4-(2-furylmethyl)piperazin-1-yl]butan-1-one CAS Name: 2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-1-[4-(2-furanylmethyl)-1-piperazinyl]-1-butanone IUPAC Name: 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]butan-1-one Traditional Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-1-[4-(2-furfuryl)piperazino]butan-1-one Formula: C18H25ClN4O2 MolecularWeight: 364.8697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)CC2=CC=CO2)N3C(=C(C(=N3)C)Cl)C

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)CC2=CC=CO2)N3C(=C(C(=N3)C)Cl)C

InChI

InChI=1S/C18H25ClN4O2/c1-4-16(23-14(3)17(19)13(2)20-23)18(24)22-9-7-21(8-10-22)12-15-6-5-11-25-15/h5-6,11,16H,4,7-10,12H2,1-3H3