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

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

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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)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C29H29N3O3/c1-35-24-15-13-21(14-16-24)11-12-22-17-19-31(20-18-22)29(34)27-25-9-5-6-10-26(25)28(33)32(30-27)23-7-3-2-4-8-23/h2-10,13-16,22H,11-12,17-20H2,1H3