6-[4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]carbonyl-2-methyl-pyridazin-3-one

Systemtic Name: 6-[4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]carbonyl-2-methyl-pyridazin-3-one Openeye Name: 6-[4-[[5-(3-chlorophenyl)-2-thienyl]methyl]piperazine-1-carbonyl]-2-methyl-pyridazin-3-one CAS Name: 6-[[4-[[5-(3-chlorophenyl)-2-thiophenyl]methyl]-1-piperazinyl]-oxomethyl]-2-methyl-3-pyridazinone IUPAC Name: 6-[4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazine-1-carbonyl]-2-methylpyridazin-3-one Traditional Name: 6-[4-[[5-(3-chlorophenyl)-2-thienyl]methyl]piperazine-1-carbonyl]-2-methyl-pyridazin-3-one Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CC(=N1)C(=O)N2CCN(CC2)CC3=CC=C(S3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CN1C(=O)C=CC(=N1)C(=O)N2CCN(CC2)CC3=CC=C(S3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H21ClN4O2S/c1-24-20(27)8-6-18(23-24)21(28)26-11-9-25(10-12-26)14-17-5-7-19(29-17)15-3-2-4-16(22)13-15/h2-8,13H,9-12,14H2,1H3