N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide

Systemtic Name: N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide Openeye Name: N-[(E)-(2,4-dichlorophenyl)methyleneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide CAS Name: N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide Traditional Name: N-[(E)-(2,4-dichlorobenzylidene)amino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide Formula: C25H28Cl2N4O2 MolecularWeight: 487.42142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C25H28Cl2N4O2/c1-2-3-4-5-6-7-14-33-21-12-9-18(10-13-21)23-16-24(30-29-23)25(32)31-28-17-19-8-11-20(26)15-22(19)27/h8-13,15-17H,2-7,14H2,1H3,(H,29,30)(H,31,32)/b28-17+