N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-phenoxy-benzamide

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-phenoxy-benzamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-phenoxy-benzamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-2-phenoxybenzamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-phenoxybenzamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-phenoxy-benzamide Formula: C26H22FN5O2 MolecularWeight: 455.483583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H22FN5O2/c27-18-12-14-19(15-13-18)32-25(29)22(17-28)23(31-32)10-6-16-30-26(33)21-9-4-5-11-24(21)34-20-7-2-1-3-8-20/h1-5,7-9,11-15H,6,10,16,29H2,(H,30,33)