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

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-4-yl]-2-(2,4-dimethylphenyl)quinoline-4-carboxamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)-4-piperidyl]-2-(2,4-dimethylphenyl)quinoline-4-carboxamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidinyl]-2-(2,4-dimethylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,4-dimethylphenyl)quinoline-4-carboxamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)-4-piperidyl]-2-(2,4-dimethylphenyl)cinchoninamide Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4CCN(CC4)CC(=O)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4CCN(CC4)CC(=O)N)C

InChI

InChI=1S/C25H28N4O2/c1-16-7-8-19(17(2)13-16)23-14-21(20-5-3-4-6-22(20)28-23)25(31)27-18-9-11-29(12-10-18)15-24(26)30/h3-8,13-14,18H,9-12,15H2,1-2H3,(H2,26,30)(H,27,31)