6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]carbonyl-2-(2-phenoxyethyl)pyridazin-3-one

Systemtic Name: 6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]carbonyl-2-(2-phenoxyethyl)pyridazin-3-one Openeye Name: 6-[4-(m-tolylmethyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one CAS Name: 6-[[4-[(3-methylphenyl)methyl]-1-piperazinyl]-oxomethyl]-2-(2-phenoxyethyl)-3-pyridazinone IUPAC Name: 6-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one Traditional Name: 6-[4-(3-methylbenzyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one Formula: C25H28N4O3 MolecularWeight: 432.51482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O3/c1-20-6-5-7-21(18-20)19-27-12-14-28(15-13-27)25(31)23-10-11-24(30)29(26-23)16-17-32-22-8-3-2-4-9-22/h2-11,18H,12-17,19H2,1H3