1-[4-[6-[(4-fluorophenyl)carbonylamino]pyridazin-3-yl]sulfanylbutanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[4-[6-[(4-fluorophenyl)carbonylamino]pyridazin-3-yl]sulfanylbutanoyl]piperidine-4-carboxamide Openeye Name: 1-[4-[6-[(4-fluorobenzoyl)amino]pyridazin-3-yl]sulfanylbutanoyl]piperidine-4-carboxamide CAS Name: 1-[4-[[6-[[(4-fluorophenyl)-oxomethyl]amino]-3-pyridazinyl]thio]-1-oxobutyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-[6-[(4-fluorobenzoyl)amino]pyridazin-3-yl]sulfanylbutanoyl]piperidine-4-carboxamide Traditional Name: 1-[4-[[6-[(4-fluorobenzoyl)amino]pyridazin-3-yl]thio]butanoyl]isonipecotamide Formula: C21H24FN5O3S MolecularWeight: 445.510363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)CCCSC2=NN=C(C=C2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)CCCSC2=NN=C(C=C2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN5O3S/c22-16-5-3-15(4-6-16)21(30)24-17-7-8-18(26-25-17)31-13-1-2-19(28)27-11-9-14(10-12-27)20(23)29/h3-8,14H,1-2,9-13H2,(H2,23,29)(H,24,25,30)