4-(2-azanylethyl)-5-(phenylmethyl)-1,2-dihydropyrazol-3-one

Systemtic Name: 4-(2-azanylethyl)-5-(phenylmethyl)-1,2-dihydropyrazol-3-one Openeye Name: 4-(2-aminoethyl)-5-benzyl-1,2-dihydropyrazol-3-one CAS Name: 4-(2-aminoethyl)-5-(phenylmethyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-(2-aminoethyl)-5-benzyl-1,2-dihydropyrazol-3-one Traditional Name: 4-(2-aminoethyl)-5-benzyl-3-pyrazolin-3-one Formula: C12H15N3O MolecularWeight: 217.267

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C(=O)NN2)CCN

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C(=O)NN2)CCN

InChI

InChI=1S/C12H15N3O/c13-7-6-10-11(14-15-12(10)16)8-9-4-2-1-3-5-9/h1-5H,6-8,13H2,(H2,14,15,16)