4-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]-2-phenyl-phthalazin-1-one

Systemtic Name: 4-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]-2-phenyl-phthalazin-1-one Openeye Name: 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carbonyl]-2-phenyl-phthalazin-1-one CAS Name: 4-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-oxomethyl]-2-phenyl-1-phthalazinone IUPAC Name: 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carbonyl]-2-phenylphthalazin-1-one Traditional Name: 4-(4-p-anisyl-1,4-diazepan-4-ium-1-carbonyl)-2-phenyl-phthalazin-1-one Formula: C28H29N4O3+ MolecularWeight: 469.55486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O3/c1-35-23-14-12-21(13-15-23)20-30-16-7-17-31(19-18-30)28(34)26-24-10-5-6-11-25(24)27(33)32(29-26)22-8-3-2-4-9-22/h2-6,8-15H,7,16-20H2,1H3/p+1