2-(phenylmethyl)-6-(4-thiophen-2-ylcarbonylpiperazin-1-yl)carbonyl-pyridazin-3-one

Systemtic Name: 2-(phenylmethyl)-6-(4-thiophen-2-ylcarbonylpiperazin-1-yl)carbonyl-pyridazin-3-one Openeye Name: 2-benzyl-6-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]pyridazin-3-one CAS Name: 6-[oxo-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]methyl]-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-6-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]pyridazin-3-one Traditional Name: 2-benzyl-6-[4-(2-thenoyl)piperazine-1-carbonyl]pyridazin-3-one Formula: C21H20N4O3S MolecularWeight: 408.4735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H20N4O3S/c26-19-9-8-17(22-25(19)15-16-5-2-1-3-6-16)20(27)23-10-12-24(13-11-23)21(28)18-7-4-14-29-18/h1-9,14H,10-13,15H2