5-azanyl-2-(1-phenylbutan-2-yl)-1H-pyrazol-3-one

Systemtic Name: 5-azanyl-2-(1-phenylbutan-2-yl)-1H-pyrazol-3-one Openeye Name: 5-amino-2-(1-benzylpropyl)-1H-pyrazol-3-one CAS Name: 5-amino-2-(1-phenylbutan-2-yl)-1H-pyrazol-3-one IUPAC Name: 5-amino-2-(1-phenylbutan-2-yl)-1H-pyrazol-3-one Traditional Name: 5-amino-2-(1-benzylpropyl)-3-pyrazolin-3-one Formula: C13H17N3O MolecularWeight: 231.29358

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)N2C(=O)C=C(N2)N

Isomeric SMILES

CCC(CC1=CC=CC=C1)N2C(=O)C=C(N2)N

InChI

InChI=1S/C13H17N3O/c1-2-11(8-10-6-4-3-5-7-10)16-13(17)9-12(14)15-16/h3-7,9,11,15H,2,8,14H2,1H3