N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-4-yl]-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-4-yl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)-4-piperidyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidinyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)-4-piperidyl]-2-(3-pyridyl)cinchoninamide Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4)CC(=O)N

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4)CC(=O)N

InChI

InChI=1S/C22H23N5O2/c23-21(28)14-27-10-7-16(8-11-27)25-22(29)18-12-20(15-4-3-9-24-13-15)26-19-6-2-1-5-17(18)19/h1-6,9,12-13,16H,7-8,10-11,14H2,(H2,23,28)(H,25,29)