4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one

Systemtic Name: 4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-[2-(4-methoxyphenyl)ethyl]-1-piperidinyl]-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]phthalazin-1-one Formula: C30H31N3O3 MolecularWeight: 481.58544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C30H31N3O3/c1-36-25-15-13-22(14-16-25)11-12-23-17-19-32(20-18-23)30(35)28-26-9-5-6-10-27(26)29(34)33(31-28)21-24-7-3-2-4-8-24/h2-10,13-16,23H,11-12,17-21H2,1H3