N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-7-chloranyl-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-7-chloranyl-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-7-chloro-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-7-chloro-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-7-chloro-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-7-chloro-piperonylamide Formula: C21H17ClFN5O3 MolecularWeight: 441.842783

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=C(C=C4)F)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C21H17ClFN5O3/c22-16-8-12(9-18-19(16)31-11-30-18)21(29)26-7-1-2-17-15(10-24)20(25)28(27-17)14-5-3-13(23)4-6-14/h3-6,8-9H,1-2,7,11,25H2,(H,26,29)