2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-4-phenyl-phthalazin-1-one

Systemtic Name: 2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[[4-(2-phenoxyethyl)-1-piperazinyl]methyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-4-phenylphthalazin-1-one Traditional Name: 2-[[4-(2-phenoxyethyl)piperazino]methyl]-4-phenyl-phthalazin-1-one Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O2/c32-27-25-14-8-7-13-24(25)26(22-9-3-1-4-10-22)28-31(27)21-30-17-15-29(16-18-30)19-20-33-23-11-5-2-6-12-23/h1-14H,15-21H2