5-[4-(hexylamino)phenyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-[4-(hexylamino)phenyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-[4-(hexylamino)phenyl]-1,2-dihydropyrazol-3-one CAS Name: 5-[4-(hexylamino)phenyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-[4-(hexylamino)phenyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-[4-(hexylamino)phenyl]-3-pyrazolin-3-one Formula: C15H21N3O MolecularWeight: 259.34674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=CC=C(C=C1)C2=CC(=O)NN2

Isomeric SMILES

CCCCCCNC1=CC=C(C=C1)C2=CC(=O)NN2

InChI

InChI=1S/C15H21N3O/c1-2-3-4-5-10-16-13-8-6-12(7-9-13)14-11-15(19)18-17-14/h6-9,11,16H,2-5,10H2,1H3,(H2,17,18,19)