5-chloranyl-4-[methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]amino]-1H-pyridazin-6-one

Systemtic Name: 5-chloranyl-4-[methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]amino]-1H-pyridazin-6-one Openeye Name: 4-[(1-benzylpyrazol-4-yl)methyl-methyl-amino]-5-chloro-1H-pyridazin-6-one CAS Name: 5-chloro-4-[methyl-[[1-(phenylmethyl)-4-pyrazolyl]methyl]amino]-1H-pyridazin-6-one IUPAC Name: 4-[(1-benzylpyrazol-4-yl)methyl-methylamino]-5-chloro-1H-pyridazin-6-one Traditional Name: 4-[(1-benzylpyrazol-4-yl)methyl-methyl-amino]-5-chloro-1H-pyridazin-6-one Formula: C16H16ClN5O MolecularWeight: 329.78414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C3=C(C(=O)NN=C3)Cl

Isomeric SMILES

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C3=C(C(=O)NN=C3)Cl

InChI

InChI=1S/C16H16ClN5O/c1-21(14-8-18-20-16(23)15(14)17)9-13-7-19-22(11-13)10-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,20,23)