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

Systemtic Name: 1-[(3S)-5-(2-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-2-methyl-propan-1-one Openeye Name: 1-[(3S)-5-(2-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-2-methyl-propan-1-one CAS Name: 1-[(3S)-5-(2-methoxyphenyl)-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]-2-methyl-1-propanone IUPAC Name: 1-[(3S)-5-(2-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-2-methylpropan-1-one Traditional Name: 1-[(5S)-3-(2-methoxyphenyl)-5-quinoxalin-6-yl-2-pyrazolin-1-yl]-2-methyl-propan-1-one Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1C(CC(=N1)C2=CC=CC=C2OC)C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

CC(C)C(=O)N1[C@@H](CC(=N1)C2=CC=CC=C2OC)C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C22H22N4O2/c1-14(2)22(27)26-20(15-8-9-17-19(12-15)24-11-10-23-17)13-18(25-26)16-6-4-5-7-21(16)28-3/h4-12,14,20H,13H2,1-3H3/t20-/m0/s1