2-(4-tert-butylphenyl)-N-[(E)-(1-ethylpyrazol-4-yl)methylideneamino]quinoline-4-carboxamide

Systemtic Name: 2-(4-tert-butylphenyl)-N-[(E)-(1-ethylpyrazol-4-yl)methylideneamino]quinoline-4-carboxamide Openeye Name: 2-(4-tert-butylphenyl)-N-[(E)-(1-ethylpyrazol-4-yl)methyleneamino]quinoline-4-carboxamide CAS Name: 2-(4-tert-butylphenyl)-N-[(E)-(1-ethyl-4-pyrazolyl)methylideneamino]-4-quinolinecarboxamide IUPAC Name: 2-(4-tert-butylphenyl)-N-[(E)-(1-ethylpyrazol-4-yl)methylideneamino]quinoline-4-carboxamide Traditional Name: 2-(4-tert-butylphenyl)-N-[(E)-(1-ethylpyrazol-4-yl)methyleneamino]cinchoninamide Formula: C26H27N5O MolecularWeight: 425.52548

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCN1C=C(C=N1)/C=N/NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C26H27N5O/c1-5-31-17-18(16-28-31)15-27-30-25(32)22-14-24(29-23-9-7-6-8-21(22)23)19-10-12-20(13-11-19)26(2,3)4/h6-17H,5H2,1-4H3,(H,30,32)/b27-15+