N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-9H-xanthene-9-carboxamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-9H-xanthene-9-carboxamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-9H-xanthene-9-carboxamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-9H-xanthene-9-carboxamide Formula: C27H22FN5O2 MolecularWeight: 467.494283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NCCCC4=NN(C(=C4C#N)N)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NCCCC4=NN(C(=C4C#N)N)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H22FN5O2/c28-17-11-13-18(14-12-17)33-26(30)21(16-29)22(32-33)8-5-15-31-27(34)25-19-6-1-3-9-23(19)35-24-10-4-2-7-20(24)25/h1-4,6-7,9-14,25H,5,8,15,30H2,(H,31,34)