4-azanyl-5-ethyl-1-methyl-2-(phenylmethyl)pyrazol-3-one

Systemtic Name: 4-azanyl-5-ethyl-1-methyl-2-(phenylmethyl)pyrazol-3-one Openeye Name: 4-amino-2-benzyl-5-ethyl-1-methyl-pyrazol-3-one CAS Name: 4-amino-5-ethyl-1-methyl-2-(phenylmethyl)-3-pyrazolone IUPAC Name: 4-amino-2-benzyl-5-ethyl-1-methylpyrazol-3-one Traditional Name: 4-amino-2-benzyl-5-ethyl-1-methyl-3-pyrazolin-3-one Formula: C13H17N3O MolecularWeight: 231.29358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N(N1C)CC2=CC=CC=C2)N

Isomeric SMILES

CCC1=C(C(=O)N(N1C)CC2=CC=CC=C2)N

InChI

InChI=1S/C13H17N3O/c1-3-11-12(14)13(17)16(15(11)2)9-10-7-5-4-6-8-10/h4-8H,3,9,14H2,1-2H3