1-[5-(2-azanyl-5-chloranyl-phenyl)-3,4-dihydropyrazol-2-yl]butan-1-one

Systemtic Name: 1-[5-(2-azanyl-5-chloranyl-phenyl)-3,4-dihydropyrazol-2-yl]butan-1-one Openeye Name: 1-[5-(2-amino-5-chloro-phenyl)-3,4-dihydropyrazol-2-yl]butan-1-one CAS Name: 1-[5-(2-amino-5-chlorophenyl)-3,4-dihydropyrazol-2-yl]-1-butanone IUPAC Name: 1-[5-(2-amino-5-chlorophenyl)-3,4-dihydropyrazol-2-yl]butan-1-one Traditional Name: 1-[3-(2-amino-5-chloro-phenyl)-2-pyrazolin-1-yl]butan-1-one Formula: C13H16ClN3O MolecularWeight: 265.73864

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCC(=N1)C2=C(C=CC(=C2)Cl)N

Isomeric SMILES

CCCC(=O)N1CCC(=N1)C2=C(C=CC(=C2)Cl)N

InChI

InChI=1S/C13H16ClN3O/c1-2-3-13(18)17-7-6-12(16-17)10-8-9(14)4-5-11(10)15/h4-5,8H,2-3,6-7,15H2,1H3