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

Systemtic Name: 4-methyl-2-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-2-oxidanylidene-ethyl]phthalazin-1-one Openeye Name: 4-methyl-2-[2-oxo-2-[4-(p-tolylmethyl)-1,4-diazepan-4-ium-1-yl]ethyl]phthalazin-1-one CAS Name: 4-methyl-2-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-2-oxoethyl]-1-phthalazinone IUPAC Name: 4-methyl-2-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-2-oxoethyl]phthalazin-1-one Traditional Name: 2-[2-keto-2-[4-(4-methylbenzyl)-1,4-diazepan-4-ium-1-yl]ethyl]-4-methyl-phthalazin-1-one Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C

InChI

InChI=1S/C24H28N4O2/c1-18-8-10-20(11-9-18)16-26-12-5-13-27(15-14-26)23(29)17-28-24(30)22-7-4-3-6-21(22)19(2)25-28/h3-4,6-11H,5,12-17H2,1-2H3/p+1