2-(3,4-dimethylphenyl)-N,N-dipentyl-quinoline-4-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)-N,N-dipentyl-quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)-N,N-dipentyl-quinoline-4-carboxamide CAS Name: 2-(3,4-dimethylphenyl)-N,N-dipentyl-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)-N,N-dipentylquinoline-4-carboxamide Traditional Name: N,N-diamyl-2-(3,4-dimethylphenyl)cinchoninamide Formula: C28H36N2O MolecularWeight: 416.59824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCCCN(CCCCC)C(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C28H36N2O/c1-5-7-11-17-30(18-12-8-6-2)28(31)25-20-27(23-16-15-21(3)22(4)19-23)29-26-14-10-9-13-24(25)26/h9-10,13-16,19-20H,5-8,11-12,17-18H2,1-4H3