1-(6-chloranylpyridazin-3-yl)-7,7-dimethyl-3-quinoxalin-2-yl-5,6-dihydroindazol-4-one

Systemtic Name: 1-(6-chloranylpyridazin-3-yl)-7,7-dimethyl-3-quinoxalin-2-yl-5,6-dihydroindazol-4-one Openeye Name: 1-(6-chloropyridazin-3-yl)-7,7-dimethyl-3-quinoxalin-2-yl-5,6-dihydroindazol-4-one CAS Name: 1-(6-chloro-3-pyridazinyl)-7,7-dimethyl-3-(2-quinoxalinyl)-5,6-dihydroindazol-4-one IUPAC Name: 1-(6-chloropyridazin-3-yl)-7,7-dimethyl-3-quinoxalin-2-yl-5,6-dihydroindazol-4-one Traditional Name: 1-(6-chloropyridazin-3-yl)-7,7-dimethyl-3-quinoxalin-2-yl-5,6-dihydroindazol-4-one Formula: C21H17ClN6O MolecularWeight: 404.85228

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C2=C1N(N=C2C3=NC4=CC=CC=C4N=C3)C5=NN=C(C=C5)Cl)C

Isomeric SMILES

CC1(CCC(=O)C2=C1N(N=C2C3=NC4=CC=CC=C4N=C3)C5=NN=C(C=C5)Cl)C

InChI

InChI=1S/C21H17ClN6O/c1-21(2)10-9-15(29)18-19(14-11-23-12-5-3-4-6-13(12)24-14)27-28(20(18)21)17-8-7-16(22)25-26-17/h3-8,11H,9-10H2,1-2H3