N-(6-chloranylpyridazin-3-yl)-4-[(4-fluoranyl-3-phenoxy-phenyl)methyl]piperazine-1-carboxamide

Systemtic Name: N-(6-chloranylpyridazin-3-yl)-4-[(4-fluoranyl-3-phenoxy-phenyl)methyl]piperazine-1-carboxamide Openeye Name: N-(6-chloropyridazin-3-yl)-4-[(4-fluoro-3-phenoxy-phenyl)methyl]piperazine-1-carboxamide CAS Name: N-(6-chloro-3-pyridazinyl)-4-[(4-fluoro-3-phenoxyphenyl)methyl]-1-piperazinecarboxamide IUPAC Name: N-(6-chloropyridazin-3-yl)-4-[(4-fluoro-3-phenoxyphenyl)methyl]piperazine-1-carboxamide Traditional Name: N-(6-chloropyridazin-3-yl)-4-(4-fluoro-3-phenoxy-benzyl)piperazine-1-carboxamide Formula: C22H21ClFN5O2 MolecularWeight: 441.885843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=C(C=C2)F)OC3=CC=CC=C3)C(=O)NC4=NN=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC(=C(C=C2)F)OC3=CC=CC=C3)C(=O)NC4=NN=C(C=C4)Cl

InChI

InChI=1S/C22H21ClFN5O2/c23-20-8-9-21(27-26-20)25-22(30)29-12-10-28(11-13-29)15-16-6-7-18(24)19(14-16)31-17-4-2-1-3-5-17/h1-9,14H,10-13,15H2,(H,25,27,30)