4-chloranyl-2-phenyl-5-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-yl]pyridazin-3-one

Systemtic Name: 4-chloranyl-2-phenyl-5-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-yl]pyridazin-3-one Openeye Name: 4-chloro-2-phenyl-5-[4-[3-(3-thienyl)propanoyl]piperazin-1-yl]pyridazin-3-one CAS Name: 4-chloro-5-[4-[1-oxo-3-(3-thiophenyl)propyl]-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-2-phenyl-5-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-yl]pyridazin-3-one Traditional Name: 4-chloro-2-phenyl-5-[4-[3-(3-thienyl)propanoyl]piperazino]pyridazin-3-one Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C(=O)CCC4=CSC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C(=O)CCC4=CSC=C4

InChI

InChI=1S/C21H21ClN4O2S/c22-20-18(14-23-26(21(20)28)17-4-2-1-3-5-17)24-9-11-25(12-10-24)19(27)7-6-16-8-13-29-15-16/h1-5,8,13-15H,6-7,9-12H2