N-[4-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-4-oxidanylidene-butyl]thiophene-3-carboxamide

Systemtic Name: N-[4-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-4-oxidanylidene-butyl]thiophene-3-carboxamide Openeye Name: N-[4-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-4-oxo-butyl]thiophene-3-carboxamide CAS Name: N-[4-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propylamino]-4-oxobutyl]-3-thiophenecarboxamide IUPAC Name: N-[4-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-4-oxobutyl]thiophene-3-carboxamide Traditional Name: N-[4-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-4-keto-butyl]thiophene-3-carboxamide Formula: C22H23FN6O2S MolecularWeight: 454.520423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=C(C(=N2)CCCNC(=O)CCCNC(=O)C3=CSC=C3)C#N)N)F

Isomeric SMILES

C1=CC(=CC=C1N2C(=C(C(=N2)CCCNC(=O)CCCNC(=O)C3=CSC=C3)C#N)N)F

InChI

InChI=1S/C22H23FN6O2S/c23-16-5-7-17(8-6-16)29-21(25)18(13-24)19(28-29)3-1-10-26-20(30)4-2-11-27-22(31)15-9-12-32-14-15/h5-9,12,14H,1-4,10-11,25H2,(H,26,30)(H,27,31)