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

Systemtic Name: 5-[4-(octylamino)phenyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-[4-(octylamino)phenyl]-1,2-dihydropyrazol-3-one CAS Name: 5-[4-(octylamino)phenyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-[4-(octylamino)phenyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-[4-(octylamino)phenyl]-3-pyrazolin-3-one Formula: C17H25N3O MolecularWeight: 287.3999

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=CC=C(C=C1)C2=CC(=O)NN2

Isomeric SMILES

CCCCCCCCNC1=CC=C(C=C1)C2=CC(=O)NN2

InChI

InChI=1S/C17H25N3O/c1-2-3-4-5-6-7-12-18-15-10-8-14(9-11-15)16-13-17(21)20-19-16/h8-11,13,18H,2-7,12H2,1H3,(H2,19,20,21)