6-chloranyl-2-[2-oxidanylidene-2-[(3S)-3-(4-phenoxyphenyl)carbonylpiperidin-1-yl]ethyl]pyridazin-3-one

Systemtic Name: 6-chloranyl-2-[2-oxidanylidene-2-[(3S)-3-(4-phenoxyphenyl)carbonylpiperidin-1-yl]ethyl]pyridazin-3-one Openeye Name: 6-chloro-2-[2-oxo-2-[(3S)-3-(4-phenoxybenzoyl)-1-piperidyl]ethyl]pyridazin-3-one CAS Name: 6-chloro-2-[2-oxo-2-[(3S)-3-[oxo-(4-phenoxyphenyl)methyl]-1-piperidinyl]ethyl]-3-pyridazinone IUPAC Name: 6-chloro-2-[2-oxo-2-[(3S)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl]pyridazin-3-one Traditional Name: 6-chloro-2-[2-keto-2-[(3S)-3-(4-phenoxybenzoyl)piperidino]ethyl]pyridazin-3-one Formula: C24H22ClN3O4 MolecularWeight: 451.90218

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CN2C(=O)C=CC(=N2)Cl)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CN2C(=O)C=CC(=N2)Cl)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H22ClN3O4/c25-21-12-13-22(29)28(26-21)16-23(30)27-14-4-5-18(15-27)24(31)17-8-10-20(11-9-17)32-19-6-2-1-3-7-19/h1-3,6-13,18H,4-5,14-16H2/t18-/m0/s1