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

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3-bromanyl-5-fluoranyl-benzamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3-bromo-5-fluoro-benzamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-3-bromo-5-fluorobenzamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-bromo-5-fluorobenzamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3-bromo-5-fluoro-benzamide Formula: C20H17BrFN5O MolecularWeight: 442.284283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrFN5O/c21-14-9-13(10-15(22)11-14)20(28)25-8-4-7-18-17(12-23)19(24)27(26-18)16-5-2-1-3-6-16/h1-3,5-6,9-11H,4,7-8,24H2,(H,25,28)