2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(1-ethyl-3-methyl-pyrazol-4-yl)ethyl]quinoline-4-carboxamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(1-ethyl-3-methyl-pyrazol-4-yl)ethyl]quinoline-4-carboxamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(1-ethyl-3-methyl-pyrazol-4-yl)ethyl]quinoline-4-carboxamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(1-ethyl-3-methyl-4-pyrazolyl)ethyl]-4-quinolinecarboxamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]quinoline-4-carboxamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(1-ethyl-3-methyl-pyrazol-4-yl)ethyl]cinchoninamide Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C(C)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CCN1C=C(C(=N1)C)[C@H](C)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C26H26N4O3/c1-4-30-15-21(17(3)29-30)16(2)27-26(31)20-14-23(28-22-8-6-5-7-19(20)22)18-9-10-24-25(13-18)33-12-11-32-24/h5-10,13-16H,4,11-12H2,1-3H3,(H,27,31)/t16-/m0/s1