6-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]carbonyl-2-(phenylmethyl)pyridazin-3-one

Systemtic Name: 6-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]carbonyl-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-6-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]pyridazin-3-one CAS Name: 6-[[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-6-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]pyridazin-3-one Traditional Name: 2-benzyl-6-[4-(2,5-dimethoxybenzyl)piperazine-1-carbonyl]pyridazin-3-one Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O4/c1-32-21-8-10-23(33-2)20(16-21)18-27-12-14-28(15-13-27)25(31)22-9-11-24(30)29(26-22)17-19-6-4-3-5-7-19/h3-11,16H,12-15,17-18H2,1-2H3