N-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide

Systemtic Name: N-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide Openeye Name: N-[(E)-(4-tert-butylphenyl)methyleneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide CAS Name: N-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide Traditional Name: N-[(E)-(4-tert-butylbenzylidene)amino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide Formula: C29H38N4O2 MolecularWeight: 474.63762

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C29H38N4O2/c1-5-6-7-8-9-10-19-35-25-17-13-23(14-18-25)26-20-27(32-31-26)28(34)33-30-21-22-11-15-24(16-12-22)29(2,3)4/h11-18,20-21H,5-10,19H2,1-4H3,(H,31,32)(H,33,34)/b30-21+