N-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-[2-(3-ethynylanilino)-2-oxo-ethyl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[2-(3-ethynylanilino)-2-oxoethyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-[2-(3-ethynylanilino)-2-oxoethyl]-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-[2-(3-ethynylanilino)-2-keto-ethyl]-2-(4-pyridyl)cinchoninamide Formula: C25H18N4O2 MolecularWeight: 406.43602

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4

InChI

InChI=1S/C25H18N4O2/c1-2-17-6-5-7-19(14-17)28-24(30)16-27-25(31)21-15-23(18-10-12-26-13-11-18)29-22-9-4-3-8-20(21)22/h1,3-15H,16H2,(H,27,31)(H,28,30)