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

Systemtic Name: N-[3-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-3-oxidanylidene-propyl]thiophene-3-carboxamide Openeye Name: N-[3-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-3-oxo-propyl]thiophene-3-carboxamide CAS Name: N-[3-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propylamino]-3-oxopropyl]-3-thiophenecarboxamide IUPAC Name: N-[3-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-3-oxopropyl]thiophene-3-carboxamide Traditional Name: N-[3-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-3-keto-propyl]thiophene-3-carboxamide Formula: C21H21FN6O2S MolecularWeight: 440.493843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN6O2S/c22-15-3-5-16(6-4-15)28-20(24)17(12-23)18(27-28)2-1-9-25-19(29)7-10-26-21(30)14-8-11-31-13-14/h3-6,8,11,13H,1-2,7,9-10,24H2,(H,25,29)(H,26,30)