4-[4-(2-phenoxyethyl)piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one

Systemtic Name: 4-[4-(2-phenoxyethyl)piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[oxo-[4-(2-phenoxyethyl)-1-piperazinyl]methyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC=C2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O3/c33-27-25-14-8-7-13-24(25)26(29-32(27)21-22-9-3-1-4-10-22)28(34)31-17-15-30(16-18-31)19-20-35-23-11-5-2-6-12-23/h1-14H,15-21H2