2-[cyclohexyl(methyl)amino]-N-(3-methylbutyl)quinoline-4-carboxamide

Systemtic Name: 2-[cyclohexyl(methyl)amino]-N-(3-methylbutyl)quinoline-4-carboxamide Openeye Name: 2-[cyclohexyl(methyl)amino]-N-isopentyl-quinoline-4-carboxamide CAS Name: 2-[cyclohexyl(methyl)amino]-N-(3-methylbutyl)-4-quinolinecarboxamide IUPAC Name: 2-[cyclohexyl(methyl)amino]-N-(3-methylbutyl)quinoline-4-carboxamide Traditional Name: 2-[cyclohexyl(methyl)amino]-N-isoamyl-cinchoninamide Formula: C22H31N3O MolecularWeight: 353.50104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CC(=NC2=CC=CC=C21)N(C)C3CCCCC3

Isomeric SMILES

CC(C)CCNC(=O)C1=CC(=NC2=CC=CC=C21)N(C)C3CCCCC3

InChI

InChI=1S/C22H31N3O/c1-16(2)13-14-23-22(26)19-15-21(24-20-12-8-7-11-18(19)20)25(3)17-9-5-4-6-10-17/h7-8,11-12,15-17H,4-6,9-10,13-14H2,1-3H3,(H,23,26)