1-(4,6-dimethylpyrimidin-2-yl)-3-[(2-ethylphenyl)amino]-6,7-dihydro-5H-indazol-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NN(C3=C2C(=O)CCC3)C4=NC(=CC(=N4)C)C

Isomeric SMILES

CCC1=CC=CC=C1NC2=NN(C3=C2C(=O)CCC3)C4=NC(=CC(=N4)C)C

InChI

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