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

Systemtic Name: 3-[(4-ethylphenyl)amino]-6,6-dimethyl-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one Openeye Name: 3-(4-ethylanilino)-6,6-dimethyl-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one CAS Name: 3-(4-ethylanilino)-6,6-dimethyl-1-(2-pyrimidinyl)-5,7-dihydroindazol-4-one IUPAC Name: 3-(4-ethylanilino)-6,6-dimethyl-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one Traditional Name: 3-(4-ethylanilino)-6,6-dimethyl-1-(2-pyrimidyl)-5,7-dihydroindazol-4-one Formula: C21H23N5O MolecularWeight: 361.44022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NN(C3=C2C(=O)CC(C3)(C)C)C4=NC=CC=N4

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NN(C3=C2C(=O)CC(C3)(C)C)C4=NC=CC=N4

InChI

InChI=1S/C21H23N5O/c1-4-14-6-8-15(9-7-14)24-19-18-16(12-21(2,3)13-17(18)27)26(25-19)20-22-10-5-11-23-20/h5-11H,4,12-13H2,1-3H3,(H,24,25)