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

Systemtic Name: 4-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]-2-phenyl-phthalazin-1-one Openeye Name: 4-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-carbonyl]-2-phenyl-phthalazin-1-one CAS Name: 4-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-oxomethyl]-2-phenyl-1-phthalazinone IUPAC Name: 4-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-carbonyl]-2-phenylphthalazin-1-one Traditional Name: 4-[4-(4-chlorobenzyl)-1,4-diazepan-4-ium-1-carbonyl]-2-phenyl-phthalazin-1-one Formula: C27H26ClN4O2+ MolecularWeight: 473.97394

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H25ClN4O2/c28-21-13-11-20(12-14-21)19-30-15-6-16-31(18-17-30)27(34)25-23-9-4-5-10-24(23)26(33)32(29-25)22-7-2-1-3-8-22/h1-5,7-14H,6,15-19H2/p+1