2-(2-ethylpyrimidin-5-yl)-3,6-dimethyl-N-[(3S)-oxan-3-yl]quinoline-4-carboxamide

Systemtic Name: 2-(2-ethylpyrimidin-5-yl)-3,6-dimethyl-N-[(3S)-oxan-3-yl]quinoline-4-carboxamide Openeye Name: 2-(2-ethylpyrimidin-5-yl)-3,6-dimethyl-N-[(3S)-tetrahydropyran-3-yl]quinoline-4-carboxamide CAS Name: 2-(2-ethyl-5-pyrimidinyl)-3,6-dimethyl-N-[(3S)-3-oxanyl]-4-quinolinecarboxamide IUPAC Name: 2-(2-ethylpyrimidin-5-yl)-3,6-dimethyl-N-[(3S)-oxan-3-yl]quinoline-4-carboxamide Traditional Name: 2-(2-ethylpyrimidin-5-yl)-3,6-dimethyl-N-[(3S)-tetrahydropyran-3-yl]cinchoninamide Formula: C23H26N4O2 MolecularWeight: 390.47814

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=C(C=N1)C2=C(C(=C3C=C(C=CC3=N2)C)C(=O)NC4CCCOC4)C

Isomeric SMILES

CCC1=NC=C(C=N1)C2=C(C(=C3C=C(C=CC3=N2)C)C(=O)N[C@H]4CCCOC4)C

InChI

InChI=1S/C23H26N4O2/c1-4-20-24-11-16(12-25-20)22-15(3)21(18-10-14(2)7-8-19(18)27-22)23(28)26-17-6-5-9-29-13-17/h7-8,10-12,17H,4-6,9,13H2,1-3H3,(H,26,28)/t17-/m0/s1