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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O2/c1-3-5-22(27)26-21(16-8-9-18-20(13-16)24-11-10-23-18)14-19(25-26)15-6-4-7-17(12-15)28-2/h4,6-13,21H,3,5,14H2,1-2H3/t21-/m0/s1