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

Systemtic Name: 4-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[4-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-[2-(4-hydroxyphenyl)ethyl]-1-piperidinyl]-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-[4-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carbonyl]phthalazin-1-one Formula: C29H29N3O3 MolecularWeight: 467.55886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC2=CC=C(C=C2)O)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CCC2=CC=C(C=C2)O)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C29H29N3O3/c33-24-14-12-21(13-15-24)10-11-22-16-18-31(19-17-22)29(35)27-25-8-4-5-9-26(25)28(34)32(30-27)20-23-6-2-1-3-7-23/h1-9,12-15,22,33H,10-11,16-20H2