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

Systemtic Name: 5-[4-(heptan-2-ylamino)phenyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-[4-(1-methylhexylamino)phenyl]-1,2-dihydropyrazol-3-one CAS Name: 5-[4-(heptan-2-ylamino)phenyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-[4-(heptan-2-ylamino)phenyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-[4-(1-methylhexylamino)phenyl]-3-pyrazolin-3-one Formula: C16H23N3O MolecularWeight: 273.37332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O/c1-3-4-5-6-12(2)17-14-9-7-13(8-10-14)15-11-16(20)19-18-15/h7-12,17H,3-6H2,1-2H3,(H2,18,19,20)