N-[(E)-1-(4-methylphenyl)ethylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide

Systemtic Name: N-[(E)-1-(4-methylphenyl)ethylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide Openeye Name: 3-(4-octoxyphenyl)-N-[(E)-1-(p-tolyl)ethylideneamino]-1H-pyrazole-5-carboxamide CAS Name: N-[(E)-1-(4-methylphenyl)ethylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-[(E)-1-(4-methylphenyl)ethylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide Traditional Name: 3-(4-octoxyphenyl)-N-[(E)-1-(p-tolyl)ethylideneamino]-1H-pyrazole-5-carboxamide Formula: C27H34N4O2 MolecularWeight: 446.58446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O2/c1-4-5-6-7-8-9-18-33-24-16-14-23(15-17-24)25-19-26(30-29-25)27(32)31-28-21(3)22-12-10-20(2)11-13-22/h10-17,19H,4-9,18H2,1-3H3,(H,29,30)(H,31,32)/b28-21+