3-[(3-chloranyl-4-methyl-phenyl)amino]-1,5,6,7-tetrahydroindazol-4-one

Systemtic Name: 3-[(3-chloranyl-4-methyl-phenyl)amino]-1,5,6,7-tetrahydroindazol-4-one Openeye Name: 3-(3-chloro-4-methyl-anilino)-1,5,6,7-tetrahydroindazol-4-one CAS Name: 3-(3-chloro-4-methylanilino)-1,5,6,7-tetrahydroindazol-4-one IUPAC Name: 3-(3-chloro-4-methylanilino)-1,5,6,7-tetrahydroindazol-4-one Traditional Name: 3-(3-chloro-4-methyl-anilino)-1,5,6,7-tetrahydroindazol-4-one Formula: C14H14ClN3O MolecularWeight: 275.73346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NNC3=C2C(=O)CCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NNC3=C2C(=O)CCC3)Cl

InChI

InChI=1S/C14H14ClN3O/c1-8-5-6-9(7-10(8)15)16-14-13-11(17-18-14)3-2-4-12(13)19/h5-7H,2-4H2,1H3,(H2,16,17,18)