1-[(3S)-5-(1,3-benzodioxol-5-yl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 1-[(3S)-5-(1,3-benzodioxol-5-yl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[(3S)-5-(1,3-benzodioxol-5-yl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[(3S)-5-(1,3-benzodioxol-5-yl)-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[(3S)-5-(1,3-benzodioxol-5-yl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[(5S)-3-(1,3-benzodioxol-5-yl)-5-quinoxalin-6-yl-2-pyrazolin-1-yl]ethanone Formula: C20H16N4O3 MolecularWeight: 360.36604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=CC3=C(C=C2)OCO3)C4=CC5=NC=CN=C5C=C4

Isomeric SMILES

CC(=O)N1[C@@H](CC(=N1)C2=CC3=C(C=C2)OCO3)C4=CC5=NC=CN=C5C=C4

InChI

InChI=1S/C20H16N4O3/c1-12(25)24-18(14-2-4-15-17(8-14)22-7-6-21-15)10-16(23-24)13-3-5-19-20(9-13)27-11-26-19/h2-9,18H,10-11H2,1H3/t18-/m0/s1