4-chloranyl-2-phenyl-5-[4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]pyridazin-3-one

Systemtic Name: 4-chloranyl-2-phenyl-5-[4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]pyridazin-3-one Openeye Name: 4-chloro-2-phenyl-5-[4-[(5-phenylisoxazol-3-yl)methyl]piperazin-4-ium-1-yl]pyridazin-3-one CAS Name: 4-chloro-2-phenyl-5-[4-[(5-phenyl-3-isoxazolyl)methyl]-1-piperazin-4-iumyl]-3-pyridazinone IUPAC Name: 4-chloro-2-phenyl-5-[4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]pyridazin-3-one Traditional Name: 4-chloro-2-phenyl-5-[4-[(5-phenylisoxazol-3-yl)methyl]piperazin-4-ium-1-yl]pyridazin-3-one Formula: C24H23ClN5O2+ MolecularWeight: 448.92472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CC=C3)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CC=C3)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C24H22ClN5O2/c25-23-21(16-26-30(24(23)31)20-9-5-2-6-10-20)29-13-11-28(12-14-29)17-19-15-22(32-27-19)18-7-3-1-4-8-18/h1-10,15-16H,11-14,17H2/p+1