5-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-4-phenylmethoxy-pyridazin-3-one

Systemtic Name: 5-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-4-phenylmethoxy-pyridazin-3-one Openeye Name: 4-benzyloxy-5-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 5-[4-[(1,5-dimethyl-4-pyrazolyl)methyl]-1-piperazinyl]-2-phenyl-4-phenylmethoxy-3-pyridazinone IUPAC Name: 5-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-4-phenylmethoxypyridazin-3-one Traditional Name: 4-benzoxy-5-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazino]-2-phenyl-pyridazin-3-one Formula: C27H30N6O2 MolecularWeight: 470.5661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CN2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=NN1C)CN2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H30N6O2/c1-21-23(17-28-30(21)2)19-31-13-15-32(16-14-31)25-18-29-33(24-11-7-4-8-12-24)27(34)26(25)35-20-22-9-5-3-6-10-22/h3-12,17-18H,13-16,19-20H2,1-2H3