2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-phenylpropyl)quinoline-4-carboxamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-phenylpropyl)quinoline-4-carboxamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-phenylpropyl)quinoline-4-carboxamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-phenylpropyl)-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-phenylpropyl)quinoline-4-carboxamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-phenylpropyl)cinchoninamide Formula: C28H27N3O MolecularWeight: 421.53348

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCC(C1=CC=CC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H27N3O/c1-2-25(21-11-4-3-5-12-21)30-28(32)24-18-27(29-26-15-9-8-14-23(24)26)31-17-16-20-10-6-7-13-22(20)19-31/h3-15,18,25H,2,16-17,19H2,1H3,(H,30,32)