3-[(4-chlorophenyl)amino]-6,6-dimethyl-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one

Systemtic Name: 3-[(4-chlorophenyl)amino]-6,6-dimethyl-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one Openeye Name: 3-(4-chloroanilino)-6,6-dimethyl-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one CAS Name: 3-(4-chloroanilino)-6,6-dimethyl-1-(2-pyrimidinyl)-5,7-dihydroindazol-4-one IUPAC Name: 3-(4-chloroanilino)-6,6-dimethyl-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one Traditional Name: 3-(4-chloroanilino)-6,6-dimethyl-1-(2-pyrimidyl)-5,7-dihydroindazol-4-one Formula: C19H18ClN5O MolecularWeight: 367.83212

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C(=NN2C3=NC=CC=N3)NC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C(=NN2C3=NC=CC=N3)NC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C19H18ClN5O/c1-19(2)10-14-16(15(26)11-19)17(23-13-6-4-12(20)5-7-13)24-25(14)18-21-8-3-9-22-18/h3-9H,10-11H2,1-2H3,(H,23,24)