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

Systemtic Name: 5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-phenyl-4-propan-2-yloxy-pyridazin-3-one Openeye Name: 4-isopropoxy-5-[4-(m-tolylmethyl)piperazin-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 5-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-2-phenyl-4-propan-2-yloxy-3-pyridazinone IUPAC Name: 5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-phenyl-4-propan-2-yloxypyridazin-3-one Traditional Name: 4-isopropoxy-5-[4-(3-methylbenzyl)piperazino]-2-phenyl-pyridazin-3-one Formula: C25H30N4O2 MolecularWeight: 418.5313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)OC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)OC(C)C

InChI

InChI=1S/C25H30N4O2/c1-19(2)31-24-23(17-26-29(25(24)30)22-10-5-4-6-11-22)28-14-12-27(13-15-28)18-21-9-7-8-20(3)16-21/h4-11,16-17,19H,12-15,18H2,1-3H3