5-[4-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperazin-1-yl]-2-phenyl-4-propan-2-yloxy-pyridazin-3-one

Systemtic Name: 5-[4-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperazin-1-yl]-2-phenyl-4-propan-2-yloxy-pyridazin-3-one Openeye Name: 4-isopropoxy-5-[4-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 5-[4-[[4-(4-methyl-1-piperazinyl)phenyl]methyl]-1-piperazinyl]-2-phenyl-4-propan-2-yloxy-3-pyridazinone IUPAC Name: 5-[4-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperazin-1-yl]-2-phenyl-4-propan-2-yloxypyridazin-3-one Traditional Name: 4-isopropoxy-5-[4-[4-(4-methylpiperazino)benzyl]piperazino]-2-phenyl-pyridazin-3-one Formula: C29H38N6O2 MolecularWeight: 502.65102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=NN(C1=O)C2=CC=CC=C2)N3CCN(CC3)CC4=CC=C(C=C4)N5CCN(CC5)C

Isomeric SMILES

CC(C)OC1=C(C=NN(C1=O)C2=CC=CC=C2)N3CCN(CC3)CC4=CC=C(C=C4)N5CCN(CC5)C

InChI

InChI=1S/C29H38N6O2/c1-23(2)37-28-27(21-30-35(29(28)36)26-7-5-4-6-8-26)34-19-15-32(16-20-34)22-24-9-11-25(12-10-24)33-17-13-31(3)14-18-33/h4-12,21,23H,13-20,22H2,1-3H3