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

Systemtic Name: 1-[(3S)-5-(1,3-benzodioxol-5-yl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]butan-1-one Openeye Name: 1-[(3S)-5-(1,3-benzodioxol-5-yl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]butan-1-one CAS Name: 1-[(3S)-5-(1,3-benzodioxol-5-yl)-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]-1-butanone IUPAC Name: 1-[(3S)-5-(1,3-benzodioxol-5-yl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]butan-1-one Traditional Name: 1-[(5S)-3-(1,3-benzodioxol-5-yl)-5-quinoxalin-6-yl-2-pyrazolin-1-yl]butan-1-one Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3/c1-2-3-22(27)26-19(15-4-6-16-18(10-15)24-9-8-23-16)12-17(25-26)14-5-7-20-21(11-14)29-13-28-20/h4-11,19H,2-3,12-13H2,1H3/t19-/m0/s1