1-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one

Systemtic Name: 1-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one Openeye Name: 1-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one CAS Name: 1-[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-3-(3-methyl-1-pyrazolyl)-1-propanone IUPAC Name: 1-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one Traditional Name: 1-[4-(2-chloro-4-fluoro-benzyl)piperazino]-3-(3-methylpyrazol-1-yl)propan-1-one Formula: C18H22ClFN4O MolecularWeight: 364.844883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CCC(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CC1=NN(C=C1)CCC(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C18H22ClFN4O/c1-14-4-6-24(21-14)7-5-18(25)23-10-8-22(9-11-23)13-15-2-3-16(20)12-17(15)19/h2-4,6,12H,5,7-11,13H2,1H3