2-[4-(2-pyridin-3-ylquinolin-4-yl)carbonylpiperazin-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(2-pyridin-3-ylquinolin-4-yl)carbonylpiperazin-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-(3-pyridyl)quinoline-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[oxo-[2-(3-pyridinyl)-4-quinolinyl]methyl]-1-piperazinyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-(3-pyridyl)quinoline-4-carbonyl]piperazino]-1-pyrrolidino-ethanone Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C25H27N5O2/c31-24(29-10-3-4-11-29)18-28-12-14-30(15-13-28)25(32)21-16-23(19-6-5-9-26-17-19)27-22-8-2-1-7-20(21)22/h1-2,5-9,16-17H,3-4,10-15,18H2