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

Systemtic Name: 3-(4-octoxyphenyl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide Openeye Name: N-[(E)-(4-isopropylphenyl)methyleneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide CAS Name: 3-(4-octoxyphenyl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(4-octoxyphenyl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide Traditional Name: N-[(E)-(4-isopropylbenzylidene)amino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide Formula: C28H36N4O2 MolecularWeight: 460.61104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N4O2/c1-4-5-6-7-8-9-18-34-25-16-14-24(15-17-25)26-19-27(31-30-26)28(33)32-29-20-22-10-12-23(13-11-22)21(2)3/h10-17,19-21H,4-9,18H2,1-3H3,(H,30,31)(H,32,33)/b29-20+