N-(2-bromophenyl)-4-[1-(4-fluorophenyl)-6-oxidanylidene-pyridazin-3-yl]piperazine-1-carboxamide

Systemtic Name: N-(2-bromophenyl)-4-[1-(4-fluorophenyl)-6-oxidanylidene-pyridazin-3-yl]piperazine-1-carboxamide Openeye Name: N-(2-bromophenyl)-4-[1-(4-fluorophenyl)-6-oxo-pyridazin-3-yl]piperazine-1-carboxamide CAS Name: N-(2-bromophenyl)-4-[1-(4-fluorophenyl)-6-oxo-3-pyridazinyl]-1-piperazinecarboxamide IUPAC Name: N-(2-bromophenyl)-4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperazine-1-carboxamide Traditional Name: N-(2-bromophenyl)-4-[1-(4-fluorophenyl)-6-keto-pyridazin-3-yl]piperazine-1-carboxamide Formula: C21H19BrFN5O2 MolecularWeight: 472.310263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN(C(=O)C=C2)C3=CC=C(C=C3)F)C(=O)NC4=CC=CC=C4Br

Isomeric SMILES

C1CN(CCN1C2=NN(C(=O)C=C2)C3=CC=C(C=C3)F)C(=O)NC4=CC=CC=C4Br

InChI

InChI=1S/C21H19BrFN5O2/c22-17-3-1-2-4-18(17)24-21(30)27-13-11-26(12-14-27)19-9-10-20(29)28(25-19)16-7-5-15(23)6-8-16/h1-10H,11-14H2,(H,24,30)