2-(4-butoxyphenyl)-N-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]quinoline-4-carboxamide

Systemtic Name: 2-(4-butoxyphenyl)-N-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]quinoline-4-carboxamide Openeye Name: 2-(4-butoxyphenyl)-N-[(E)-(1,5-dimethylpyrazol-4-yl)methyleneamino]quinoline-4-carboxamide CAS Name: 2-(4-butoxyphenyl)-N-[(E)-(1,5-dimethyl-4-pyrazolyl)methylideneamino]-4-quinolinecarboxamide IUPAC Name: 2-(4-butoxyphenyl)-N-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]quinoline-4-carboxamide Traditional Name: 2-(4-butoxyphenyl)-N-[(E)-(1,5-dimethylpyrazol-4-yl)methyleneamino]cinchoninamide Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=C(N(N=C4)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N/N=C/C4=C(N(N=C4)C)C

InChI

InChI=1S/C26H27N5O2/c1-4-5-14-33-21-12-10-19(11-13-21)25-15-23(22-8-6-7-9-24(22)29-25)26(32)30-27-16-20-17-28-31(3)18(20)2/h6-13,15-17H,4-5,14H2,1-3H3,(H,30,32)/b27-16+