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

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-bromanyl-5-methoxy-benzamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-bromo-5-methoxy-benzamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-2-bromo-5-methoxybenzamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-bromo-5-methoxybenzamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-bromo-5-methoxy-benzamide Formula: C21H19BrFN5O2 MolecularWeight: 472.310263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H19BrFN5O2/c1-30-15-8-9-18(22)16(11-15)21(29)26-10-2-3-19-17(12-24)20(25)28(27-19)14-6-4-13(23)5-7-14/h4-9,11H,2-3,10,25H2,1H3,(H,26,29)