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

Systemtic Name: 3-[(3,4-dichlorophenyl)amino]-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one Openeye Name: 3-(3,4-dichloroanilino)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one CAS Name: 3-(3,4-dichloroanilino)-1-(2-pyrimidinyl)-6,7-dihydro-5H-indazol-4-one IUPAC Name: 3-(3,4-dichloroanilino)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one Traditional Name: 3-(3,4-dichloroanilino)-1-(2-pyrimidyl)-6,7-dihydro-5H-indazol-4-one Formula: C17H13Cl2N5O MolecularWeight: 374.22402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13Cl2N5O/c18-11-6-5-10(9-12(11)19)22-16-15-13(3-1-4-14(15)25)24(23-16)17-20-7-2-8-21-17/h2,5-9H,1,3-4H2,(H,22,23)