N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-4-chloranyl-2-fluoranyl-benzamide

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-4-chloranyl-2-fluoranyl-benzamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-4-chloro-2-fluoro-benzamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-4-chloro-2-fluorobenzamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-4-chloro-2-fluorobenzamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-4-chloro-2-fluoro-benzamide Formula: C20H17ClFN5O MolecularWeight: 397.833283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC(=O)C3=C(C=C(C=C3)Cl)F)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC(=O)C3=C(C=C(C=C3)Cl)F)C#N)N

InChI

InChI=1S/C20H17ClFN5O/c21-13-8-9-15(17(22)11-13)20(28)25-10-4-7-18-16(12-23)19(24)27(26-18)14-5-2-1-3-6-14/h1-3,5-6,8-9,11H,4,7,10,24H2,(H,25,28)