N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-[2-(3-methoxyphenyl)-2-pyrrolidino-ethyl]-2-(4-pyridyl)cinchoninamide Formula: C28H28N4O2 MolecularWeight: 452.54752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4)N5CCCC5

Isomeric SMILES

COC1=CC=CC(=C1)C(CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4)N5CCCC5

InChI

InChI=1S/C28H28N4O2/c1-34-22-8-6-7-21(17-22)27(32-15-4-5-16-32)19-30-28(33)24-18-26(20-11-13-29-14-12-20)31-25-10-3-2-9-23(24)25/h2-3,6-14,17-18,27H,4-5,15-16,19H2,1H3,(H,30,33)