N-[3-(diethylamino)propyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide

Systemtic Name: N-[3-(diethylamino)propyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide Openeye Name: N-[3-(diethylamino)propyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide CAS Name: N-[3-(diethylamino)propyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-quinolinecarboxamide IUPAC Name: N-[3-(diethylamino)propyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide Traditional Name: N-[3-(diethylamino)propyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)cinchoninamide Formula: C26H32N4O MolecularWeight: 416.55848

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC(=O)C1=CC(=NC2=CC=CC=C21)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCN(CC)CCCNC(=O)C1=CC(=NC2=CC=CC=C21)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C26H32N4O/c1-3-29(4-2)16-9-15-27-26(31)23-18-25(28-24-13-8-7-12-22(23)24)30-17-14-20-10-5-6-11-21(20)19-30/h5-8,10-13,18H,3-4,9,14-17,19H2,1-2H3,(H,27,31)