1-[(2,4-dichlorophenyl)methyl]-N-[(E)-quinolin-8-ylmethylideneamino]pyrazole-3-carboxamide

Systemtic Name: 1-[(2,4-dichlorophenyl)methyl]-N-[(E)-quinolin-8-ylmethylideneamino]pyrazole-3-carboxamide Openeye Name: 1-[(2,4-dichlorophenyl)methyl]-N-[(E)-8-quinolylmethyleneamino]pyrazole-3-carboxamide CAS Name: 1-[(2,4-dichlorophenyl)methyl]-N-[(E)-8-quinolinylmethylideneamino]-3-pyrazolecarboxamide IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-N-[(E)-quinolin-8-ylmethylideneamino]pyrazole-3-carboxamide Traditional Name: 1-(2,4-dichlorobenzyl)-N-[(E)-8-quinolylmethyleneamino]pyrazole-3-carboxamide Formula: C21H15Cl2N5O MolecularWeight: 424.2827

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C=NNC(=O)C3=NN(C=C3)CC4=C(C=C(C=C4)Cl)Cl)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)/C=N/NC(=O)C3=NN(C=C3)CC4=C(C=C(C=C4)Cl)Cl)N=CC=C2

InChI

InChI=1S/C21H15Cl2N5O/c22-17-7-6-16(18(23)11-17)13-28-10-8-19(27-28)21(29)26-25-12-15-4-1-3-14-5-2-9-24-20(14)15/h1-12H,13H2,(H,26,29)/b25-12+