3-(naphthalen-2-ylamino)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one

Systemtic Name: 3-(naphthalen-2-ylamino)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one Openeye Name: 3-(2-naphthylamino)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one CAS Name: 3-(2-naphthalenylamino)-1-(2-pyrimidinyl)-6,7-dihydro-5H-indazol-4-one IUPAC Name: 3-(naphthalen-2-ylamino)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one Traditional Name: 3-(2-naphthylamino)-1-(2-pyrimidyl)-6,7-dihydro-5H-indazol-4-one Formula: C21H17N5O MolecularWeight: 355.39258

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)C(=NN2C3=NC=CC=N3)NC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CC2=C(C(=O)C1)C(=NN2C3=NC=CC=N3)NC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C21H17N5O/c27-18-8-3-7-17-19(18)20(25-26(17)21-22-11-4-12-23-21)24-16-10-9-14-5-1-2-6-15(14)13-16/h1-2,4-6,9-13H,3,7-8H2,(H,24,25)