5-azanyl-2-[(4-ethylphenyl)methyl]-1H-pyrazol-3-one

Systemtic Name: 5-azanyl-2-[(4-ethylphenyl)methyl]-1H-pyrazol-3-one Openeye Name: 5-amino-2-[(4-ethylphenyl)methyl]-1H-pyrazol-3-one CAS Name: 5-amino-2-[(4-ethylphenyl)methyl]-1H-pyrazol-3-one IUPAC Name: 5-amino-2-[(4-ethylphenyl)methyl]-1H-pyrazol-3-one Traditional Name: 5-amino-2-(4-ethylbenzyl)-3-pyrazolin-3-one Formula: C12H15N3O MolecularWeight: 217.267

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2C(=O)C=C(N2)N

Isomeric SMILES

CCC1=CC=C(C=C1)CN2C(=O)C=C(N2)N

InChI

InChI=1S/C12H15N3O/c1-2-9-3-5-10(6-4-9)8-15-12(16)7-11(13)14-15/h3-7,14H,2,8,13H2,1H3