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

Systemtic Name: 5-azanyl-2-[(3-butoxyphenyl)methyl]-1H-pyrazol-3-one Openeye Name: 5-amino-2-[(3-butoxyphenyl)methyl]-1H-pyrazol-3-one CAS Name: 5-amino-2-[(3-butoxyphenyl)methyl]-1H-pyrazol-3-one IUPAC Name: 5-amino-2-[(3-butoxyphenyl)methyl]-1H-pyrazol-3-one Traditional Name: 5-amino-2-(3-butoxybenzyl)-3-pyrazolin-3-one Formula: C14H19N3O2 MolecularWeight: 261.31956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)CN2C(=O)C=C(N2)N

Isomeric SMILES

CCCCOC1=CC=CC(=C1)CN2C(=O)C=C(N2)N

InChI

InChI=1S/C14H19N3O2/c1-2-3-7-19-12-6-4-5-11(8-12)10-17-14(18)9-13(15)16-17/h4-6,8-9,16H,2-3,7,10,15H2,1H3