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

Systemtic Name: 2-(3-butoxyphenyl)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]quinoline-4-carboxamide Openeye Name: 2-(3-butoxyphenyl)-N-[(E)-(1-methylpyrrol-2-yl)methyleneamino]quinoline-4-carboxamide CAS Name: 2-(3-butoxyphenyl)-N-[(E)-(1-methyl-2-pyrrolyl)methylideneamino]-4-quinolinecarboxamide IUPAC Name: 2-(3-butoxyphenyl)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]quinoline-4-carboxamide Traditional Name: 2-(3-butoxyphenyl)-N-[(E)-(1-methylpyrrol-2-yl)methyleneamino]cinchoninamide Formula: C26H26N4O2 MolecularWeight: 426.51024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC=CN4C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N/N=C/C4=CC=CN4C

InChI

InChI=1S/C26H26N4O2/c1-3-4-15-32-21-11-7-9-19(16-21)25-17-23(22-12-5-6-13-24(22)28-25)26(31)29-27-18-20-10-8-14-30(20)2/h5-14,16-18H,3-4,15H2,1-2H3,(H,29,31)/b27-18+