2-(3-butoxyphenyl)-N-(cycloheptylideneamino)quinoline-4-carboxamide

Systemtic Name: 2-(3-butoxyphenyl)-N-(cycloheptylideneamino)quinoline-4-carboxamide Openeye Name: 2-(3-butoxyphenyl)-N-(cycloheptylideneamino)quinoline-4-carboxamide CAS Name: 2-(3-butoxyphenyl)-N-(cycloheptylideneamino)-4-quinolinecarboxamide IUPAC Name: 2-(3-butoxyphenyl)-N-(cycloheptylideneamino)quinoline-4-carboxamide Traditional Name: 2-(3-butoxyphenyl)-N-(cycloheptylideneamino)cinchoninamide Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=C4CCCCCC4

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=C4CCCCCC4

InChI

InChI=1S/C27H31N3O2/c1-2-3-17-32-22-14-10-11-20(18-22)26-19-24(23-15-8-9-16-25(23)28-26)27(31)30-29-21-12-6-4-5-7-13-21/h8-11,14-16,18-19H,2-7,12-13,17H2,1H3,(H,30,31)