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

Systemtic Name: 1-[(3S)-5-(3,4-dimethoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]butan-1-one Openeye Name: 1-[(3S)-5-(3,4-dimethoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]butan-1-one CAS Name: 1-[(3S)-5-(3,4-dimethoxyphenyl)-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]-1-butanone IUPAC Name: 1-[(3S)-5-(3,4-dimethoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]butan-1-one Traditional Name: 1-[(5S)-3-(3,4-dimethoxyphenyl)-5-quinoxalin-6-yl-2-pyrazolin-1-yl]butan-1-one Formula: C23H24N4O3 MolecularWeight: 404.46166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O3/c1-4-5-23(28)27-20(16-6-8-17-19(12-16)25-11-10-24-17)14-18(26-27)15-7-9-21(29-2)22(13-15)30-3/h6-13,20H,4-5,14H2,1-3H3/t20-/m0/s1