5-azanyl-2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methyl-1H-pyrazol-3-one

Systemtic Name: 5-azanyl-2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methyl-1H-pyrazol-3-one Openeye Name: 5-amino-2-(indan-5-ylmethyl)-4-methyl-1H-pyrazol-3-one CAS Name: 5-amino-2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methyl-1H-pyrazol-3-one IUPAC Name: 5-amino-2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methyl-1H-pyrazol-3-one Traditional Name: 5-amino-2-(indan-5-ylmethyl)-4-methyl-3-pyrazolin-3-one Formula: C14H17N3O MolecularWeight: 243.30428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN(C1=O)CC2=CC3=C(CCC3)C=C2)N

Isomeric SMILES

CC1=C(NN(C1=O)CC2=CC3=C(CCC3)C=C2)N

InChI

InChI=1S/C14H17N3O/c1-9-13(15)16-17(14(9)18)8-10-5-6-11-3-2-4-12(11)7-10/h5-7,16H,2-4,8,15H2,1H3