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

Systemtic Name: 5-[4-(5-methylheptan-3-ylamino)phenyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-[4-[(1-ethyl-3-methyl-pentyl)amino]phenyl]-1,2-dihydropyrazol-3-one CAS Name: 5-[4-(5-methylheptan-3-ylamino)phenyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-[4-(5-methylheptan-3-ylamino)phenyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-[4-[(1-ethyl-3-methyl-pentyl)amino]phenyl]-3-pyrazolin-3-one Formula: C17H25N3O MolecularWeight: 287.3999

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O/c1-4-12(3)10-14(5-2)18-15-8-6-13(7-9-15)16-11-17(21)20-19-16/h6-9,11-12,14,18H,4-5,10H2,1-3H3,(H2,19,20,21)