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

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-[(3-methylphenyl)amino]-6,7-dihydro-5H-indazol-4-one Openeye Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-(3-methylanilino)-6,7-dihydro-5H-indazol-4-one CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-3-(3-methylanilino)-6,7-dihydro-5H-indazol-4-one IUPAC Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-(3-methylanilino)-6,7-dihydro-5H-indazol-4-one Traditional Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-(m-toluidino)-6,7-dihydro-5H-indazol-4-one Formula: C20H21N5O MolecularWeight: 347.41364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NN(C3=C2C(=O)CCC3)C4=NC(=CC(=N4)C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NN(C3=C2C(=O)CCC3)C4=NC(=CC(=N4)C)C

InChI

InChI=1S/C20H21N5O/c1-12-6-4-7-15(10-12)23-19-18-16(8-5-9-17(18)26)25(24-19)20-21-13(2)11-14(3)22-20/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,23,24)