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

Systemtic Name: 2-(4-chloranylpyrazol-1-yl)-1-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]butan-1-one Openeye Name: 2-(4-chloropyrazol-1-yl)-1-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]butan-1-one CAS Name: 2-(4-chloro-1-pyrazolyl)-1-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]-1-butanone IUPAC Name: 2-(4-chloropyrazol-1-yl)-1-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]butan-1-one Traditional Name: 2-(4-chloropyrazol-1-yl)-1-[4-(3-fluorobenzyl)piperazino]butan-1-one Formula: C18H22ClFN4O MolecularWeight: 364.844883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)CC2=CC(=CC=C2)F)N3C=C(C=N3)Cl

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)CC2=CC(=CC=C2)F)N3C=C(C=N3)Cl

InChI

InChI=1S/C18H22ClFN4O/c1-2-17(24-13-15(19)11-21-24)18(25)23-8-6-22(7-9-23)12-14-4-3-5-16(20)10-14/h3-5,10-11,13,17H,2,6-9,12H2,1H3