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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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