2-[(6-chloranylpyridin-3-yl)methyl]-N-[(E)-furan-2-ylmethylideneamino]-5-phenyl-pyrazole-3-carboxamide

Systemtic Name: 2-[(6-chloranylpyridin-3-yl)methyl]-N-[(E)-furan-2-ylmethylideneamino]-5-phenyl-pyrazole-3-carboxamide Openeye Name: 2-[(6-chloro-3-pyridyl)methyl]-N-[(E)-2-furylmethyleneamino]-5-phenyl-pyrazole-3-carboxamide CAS Name: 2-[(6-chloro-3-pyridinyl)methyl]-N-[(E)-2-furanylmethylideneamino]-5-phenyl-3-pyrazolecarboxamide IUPAC Name: 2-[(6-chloropyridin-3-yl)methyl]-N-[(E)-furan-2-ylmethylideneamino]-5-phenylpyrazole-3-carboxamide Traditional Name: 2-[(6-chloro-3-pyridyl)methyl]-N-[(E)-2-furfurylideneamino]-5-phenyl-pyrazole-3-carboxamide Formula: C21H16ClN5O2 MolecularWeight: 405.83704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)NN=CC3=CC=CO3)CC4=CN=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)N/N=C/C3=CC=CO3)CC4=CN=C(C=C4)Cl

InChI

InChI=1S/C21H16ClN5O2/c22-20-9-8-15(12-23-20)14-27-19(11-18(26-27)16-5-2-1-3-6-16)21(28)25-24-13-17-7-4-10-29-17/h1-13H,14H2,(H,25,28)/b24-13+