4-[1-(3,4-dimethylphenyl)-6-oxidanylidene-pyridazin-3-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide

Systemtic Name: 4-[1-(3,4-dimethylphenyl)-6-oxidanylidene-pyridazin-3-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide Openeye Name: 4-[1-(3,4-dimethylphenyl)-6-oxo-pyridazin-3-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide CAS Name: 4-[1-(3,4-dimethylphenyl)-6-oxo-3-pyridazinyl]-N-[(4-fluorophenyl)methyl]-1-piperazinecarboxamide IUPAC Name: 4-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide Traditional Name: 4-[1-(3,4-dimethylphenyl)-6-keto-pyridazin-3-yl]-N-(4-fluorobenzyl)piperazine-1-carboxamide Formula: C24H26FN5O2 MolecularWeight: 435.493943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C=CC(=N2)N3CCN(CC3)C(=O)NCC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C=CC(=N2)N3CCN(CC3)C(=O)NCC4=CC=C(C=C4)F)C

InChI

InChI=1S/C24H26FN5O2/c1-17-3-8-21(15-18(17)2)30-23(31)10-9-22(27-30)28-11-13-29(14-12-28)24(32)26-16-19-4-6-20(25)7-5-19/h3-10,15H,11-14,16H2,1-2H3,(H,26,32)