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

Systemtic Name: 1-[(3S)-5-(3,4-dimethoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one Openeye Name: 1-[(3S)-5-(3,4-dimethoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one CAS Name: 1-[(3S)-5-(3,4-dimethoxyphenyl)-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]-1-propanone IUPAC Name: 1-[(3S)-5-(3,4-dimethoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one Traditional Name: 1-[(5S)-3-(3,4-dimethoxyphenyl)-5-quinoxalin-6-yl-2-pyrazolin-1-yl]propan-1-one Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(CC(=N1)C2=CC(=C(C=C2)OC)OC)C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

CCC(=O)N1[C@@H](CC(=N1)C2=CC(=C(C=C2)OC)OC)C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C22H22N4O3/c1-4-22(27)26-19(15-5-7-16-18(11-15)24-10-9-23-16)13-17(25-26)14-6-8-20(28-2)21(12-14)29-3/h5-12,19H,4,13H2,1-3H3/t19-/m0/s1