5-(hexadecylamino)-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 5-(hexadecylamino)-2-phenyl-1H-pyrazol-3-one Openeye Name: 5-(hexadecylamino)-2-phenyl-1H-pyrazol-3-one CAS Name: 5-(hexadecylamino)-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-(hexadecylamino)-2-phenyl-1H-pyrazol-3-one Traditional Name: 5-(cetylamino)-2-phenyl-3-pyrazolin-3-one Formula: C25H41N3O MolecularWeight: 399.61254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC(=O)N(N1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC(=O)N(N1)C2=CC=CC=C2

InChI

InChI=1S/C25H41N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-26-24-22-25(29)28(27-24)23-19-16-15-17-20-23/h15-17,19-20,22,26-27H,2-14,18,21H2,1H3