4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-propyl-phthalazin-1-one

Systemtic Name: 4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-propyl-phthalazin-1-one Openeye Name: 4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-propyl-phthalazin-1-one CAS Name: 4-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-propyl-1-phthalazinone IUPAC Name: 4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-propylphthalazin-1-one Traditional Name: 4-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-propyl-phthalazin-1-one Formula: C25H29N4O3+ MolecularWeight: 433.52276

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C25H28N4O3/c1-2-10-29-24(30)21-6-4-3-5-20(21)23(26-29)25(31)28-13-11-27(12-14-28)17-18-7-8-22-19(16-18)9-15-32-22/h3-8,16H,2,9-15,17H2,1H3/p+1