2-(4-butoxyphenyl)-N-[(E)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]quinoline-4-carboxamide

Systemtic Name: 2-(4-butoxyphenyl)-N-[(E)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]quinoline-4-carboxamide Openeye Name: 2-(4-butoxyphenyl)-N-[(E)-(1,3,5-trimethylpyrazol-4-yl)methyleneamino]quinoline-4-carboxamide CAS Name: 2-(4-butoxyphenyl)-N-[(E)-(1,3,5-trimethyl-4-pyrazolyl)methylideneamino]-4-quinolinecarboxamide IUPAC Name: 2-(4-butoxyphenyl)-N-[(E)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]quinoline-4-carboxamide Traditional Name: 2-(4-butoxyphenyl)-N-[(E)-(1,3,5-trimethylpyrazol-4-yl)methyleneamino]cinchoninamide Formula: C27H29N5O2 MolecularWeight: 455.55146

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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=C4C)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N/N=C/C4=C(N(N=C4C)C)C

InChI

InChI=1S/C27H29N5O2/c1-5-6-15-34-21-13-11-20(12-14-21)26-16-23(22-9-7-8-10-25(22)29-26)27(33)30-28-17-24-18(2)31-32(4)19(24)3/h7-14,16-17H,5-6,15H2,1-4H3,(H,30,33)/b28-17+