1-(3-fluorophenyl)-3-methyl-5-[4-(phenylmethyl)piperazin-1-yl]pyrazole-4-carbaldehyde

Systemtic Name: 1-(3-fluorophenyl)-3-methyl-5-[4-(phenylmethyl)piperazin-1-yl]pyrazole-4-carbaldehyde Openeye Name: 5-(4-benzylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-pyrazole-4-carbaldehyde CAS Name: 1-(3-fluorophenyl)-3-methyl-5-[4-(phenylmethyl)-1-piperazinyl]-4-pyrazolecarboxaldehyde IUPAC Name: 5-(4-benzylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazole-4-carbaldehyde Traditional Name: 5-(4-benzylpiperazino)-1-(3-fluorophenyl)-3-methyl-pyrazole-4-carbaldehyde Formula: C22H23FN4O MolecularWeight: 378.442623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC(=CC=C4)F

Isomeric SMILES

CC1=NN(C(=C1C=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H23FN4O/c1-17-21(16-28)22(27(24-17)20-9-5-8-19(23)14-20)26-12-10-25(11-13-26)15-18-6-3-2-4-7-18/h2-9,14,16H,10-13,15H2,1H3