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

Systemtic Name: 4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]-2H-phthalazin-1-one Openeye Name: 4-[4-(p-tolylmethyl)-1,4-diazepan-4-ium-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(4-methylbenzyl)-1,4-diazepan-4-ium-1-carbonyl]-2H-phthalazin-1-one Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H24N4O2/c1-16-7-9-17(10-8-16)15-25-11-4-12-26(14-13-25)22(28)20-18-5-2-3-6-19(18)21(27)24-23-20/h2-3,5-10H,4,11-15H2,1H3,(H,24,27)/p+1