4-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-propyl-phthalazin-1-one

Systemtic Name: 4-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-propyl-phthalazin-1-one Openeye Name: 4-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-carbonyl]-2-propyl-phthalazin-1-one CAS Name: 4-[[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2-propyl-1-phthalazinone IUPAC Name: 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-propylphthalazin-1-one Traditional Name: 4-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-carbonyl]-2-propyl-phthalazin-1-one Formula: C24H28FN4O3+ MolecularWeight: 439.502523

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC[NH+](CC3)CC4=CC(=C(C=C4)OC)F

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC[NH+](CC3)CC4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C24H27FN4O3/c1-3-10-29-23(30)19-7-5-4-6-18(19)22(26-29)24(31)28-13-11-27(12-14-28)16-17-8-9-21(32-2)20(25)15-17/h4-9,15H,3,10-14,16H2,1-2H3/p+1