2-[[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-yl]methyl]phthalazin-1-one

Systemtic Name: 2-[[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-[2-(4-chlorophenoxy)ethyl]-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-[2-(4-chlorophenoxy)ethyl]piperazino]methyl]phthalazin-1-one Formula: C21H23ClN4O2 MolecularWeight: 398.88592

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=C(C=C2)Cl)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

C1CN(CCN1CCOC2=CC=C(C=C2)Cl)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C21H23ClN4O2/c22-18-5-7-19(8-6-18)28-14-13-24-9-11-25(12-10-24)16-26-21(27)20-4-2-1-3-17(20)15-23-26/h1-8,15H,9-14,16H2