1-(4,6-dimethylpyrimidin-2-yl)-6-phenyl-3-(prop-2-enylamino)-6,7-dihydro-5H-indazol-4-one

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-6-phenyl-3-(prop-2-enylamino)-6,7-dihydro-5H-indazol-4-one Openeye Name: 3-(allylamino)-1-(4,6-dimethylpyrimidin-2-yl)-6-phenyl-6,7-dihydro-5H-indazol-4-one CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-6-phenyl-3-(prop-2-enylamino)-6,7-dihydro-5H-indazol-4-one IUPAC Name: 1-(4,6-dimethylpyrimidin-2-yl)-6-phenyl-3-(prop-2-enylamino)-6,7-dihydro-5H-indazol-4-one Traditional Name: 3-(allylamino)-1-(4,6-dimethylpyrimidin-2-yl)-6-phenyl-6,7-dihydro-5H-indazol-4-one Formula: C22H23N5O MolecularWeight: 373.45092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C3=C(C(=O)CC(C3)C4=CC=CC=C4)C(=N2)NCC=C)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C3=C(C(=O)CC(C3)C4=CC=CC=C4)C(=N2)NCC=C)C

InChI

InChI=1S/C22H23N5O/c1-4-10-23-21-20-18(27(26-21)22-24-14(2)11-15(3)25-22)12-17(13-19(20)28)16-8-6-5-7-9-16/h4-9,11,17H,1,10,12-13H2,2-3H3,(H,23,26)