ethane; 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenyl-quinoline-4-carboxamide

Systemtic Name: ethane; 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenyl-quinoline-4-carboxamide Openeye Name: ethane; 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenyl-quinoline-4-carboxamide CAS Name: ethane; 2-[2-(hydroxymethyl)-1-pyrrolidinyl]-N-phenyl-4-quinolinecarboxamide IUPAC Name: ethane; 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylquinoline-4-carboxamide Traditional Name: ethane; 2-(2-methylolpyrrolidino)-N-phenyl-cinchoninamide Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CC.C1CC(N(C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4)CO

Isomeric SMILES

CC.C1CC(N(C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4)CO

InChI

InChI=1S/C21H21N3O2.C2H6/c25-14-16-9-6-12-24(16)20-13-18(17-10-4-5-11-19(17)23-20)21(26)22-15-7-2-1-3-8-15;1-2/h1-5,7-8,10-11,13,16,25H,6,9,12,14H2,(H,22,26);1-2H3