N-(3-methylbutyl)-2-phenylazanyl-quinoline-4-carboxamide

Systemtic Name: N-(3-methylbutyl)-2-phenylazanyl-quinoline-4-carboxamide Openeye Name: 2-anilino-N-isopentyl-quinoline-4-carboxamide CAS Name: 2-anilino-N-(3-methylbutyl)-4-quinolinecarboxamide IUPAC Name: 2-anilino-N-(3-methylbutyl)quinoline-4-carboxamide Traditional Name: 2-anilino-N-isoamyl-cinchoninamide Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CC(=NC2=CC=CC=C21)NC3=CC=CC=C3

Isomeric SMILES

CC(C)CCNC(=O)C1=CC(=NC2=CC=CC=C21)NC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O/c1-15(2)12-13-22-21(25)18-14-20(23-16-8-4-3-5-9-16)24-19-11-7-6-10-17(18)19/h3-11,14-15H,12-13H2,1-2H3,(H,22,25)(H,23,24)