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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC1=CC=C(C=C1)C2=CC(=O)NN2

Isomeric SMILES

CCCCCCC(C)NC1=CC=C(C=C1)C2=CC(=O)NN2

InChI

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