N-[2-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-2-oxidanylidene-ethyl]-4-butoxy-benzamide

Systemtic Name: N-[2-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-2-oxidanylidene-ethyl]-4-butoxy-benzamide Openeye Name: N-[2-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-2-oxo-ethyl]-4-butoxy-benzamide CAS Name: N-[2-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propylamino]-2-oxoethyl]-4-butoxybenzamide IUPAC Name: N-[2-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-2-oxoethyl]-4-butoxybenzamide Traditional Name: N-[2-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-2-keto-ethyl]-4-butoxy-benzamide Formula: C26H29FN6O3 MolecularWeight: 492.545263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C26H29FN6O3/c1-2-3-15-36-21-12-6-18(7-13-21)26(35)31-17-24(34)30-14-4-5-23-22(16-28)25(29)33(32-23)20-10-8-19(27)9-11-20/h6-13H,2-5,14-15,17,29H2,1H3,(H,30,34)(H,31,35)