N-(3-chloranyl-2-methyl-phenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazine-1-carboxamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazine-1-carboxamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazine-1-carboxamide CAS Name: N-(3-chloro-2-methylphenyl)-4-[6-(4-fluorophenyl)-3-pyridazinyl]-1-piperazinecarboxamide IUPAC Name: N-(3-chloro-2-methylphenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazine-1-carboxamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazine-1-carboxamide Formula: C22H21ClFN5O MolecularWeight: 425.886443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21ClFN5O/c1-15-18(23)3-2-4-19(15)25-22(30)29-13-11-28(12-14-29)21-10-9-20(26-27-21)16-5-7-17(24)8-6-16/h2-10H,11-14H2,1H3,(H,25,30)