1-(2-fluorophenyl)-6-methyl-4-oxidanylidene-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]pyridazine-3-carboxamide

Systemtic Name: 1-(2-fluorophenyl)-6-methyl-4-oxidanylidene-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]pyridazine-3-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxo-pyridazine-3-carboxamide CAS Name: 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-3-pyridazinecarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-1-(2-fluorophenyl)-4-keto-6-methyl-pyridazine-3-carboxamide Formula: C29H28FN5O2 MolecularWeight: 497.563323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H28FN5O2/c1-21-19-27(36)28(32-35(21)26-10-6-5-9-25(26)30)29(37)31-23-11-13-24(14-12-23)34-17-15-33(16-18-34)20-22-7-3-2-4-8-22/h2-14,19H,15-18,20H2,1H3,(H,31,37)