1-[5-(2-aminophenyl)-3,4-dihydropyrazol-2-yl]butan-1-one

Systemtic Name: 1-[5-(2-aminophenyl)-3,4-dihydropyrazol-2-yl]butan-1-one Openeye Name: 1-[5-(2-aminophenyl)-3,4-dihydropyrazol-2-yl]butan-1-one CAS Name: 1-[5-(2-aminophenyl)-3,4-dihydropyrazol-2-yl]-1-butanone IUPAC Name: 1-[5-(2-aminophenyl)-3,4-dihydropyrazol-2-yl]butan-1-one Traditional Name: 1-[3-(2-aminophenyl)-2-pyrazolin-1-yl]butan-1-one Formula: C13H17N3O MolecularWeight: 231.29358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCC(=N1)C2=CC=CC=C2N

Isomeric SMILES

CCCC(=O)N1CCC(=N1)C2=CC=CC=C2N

InChI

InChI=1S/C13H17N3O/c1-2-5-13(17)16-9-8-12(15-16)10-6-3-4-7-11(10)14/h3-4,6-7H,2,5,8-9,14H2,1H3