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

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-butoxy-3-ethoxy-benzamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-butoxy-3-ethoxy-benzamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-4-butoxy-3-ethoxybenzamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-butoxy-3-ethoxybenzamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-butoxy-3-ethoxy-benzamide Formula: C26H30FN5O3 MolecularWeight: 479.546503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30FN5O3/c1-3-5-15-35-23-13-8-18(16-24(23)34-4-2)26(33)30-14-6-7-22-21(17-28)25(29)32(31-22)20-11-9-19(27)10-12-20/h8-13,16H,3-7,14-15,29H2,1-2H3,(H,30,33)