4-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]carbonyl-2-methyl-phthalazin-1-one

Systemtic Name: 4-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]carbonyl-2-methyl-phthalazin-1-one Openeye Name: 4-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[4-[2-(4-ethoxyphenyl)ethyl]-1-piperidinyl]-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-2-methylphthalazin-1-one Traditional Name: 2-methyl-4-[4-(2-p-phenetylethyl)piperidine-1-carbonyl]phthalazin-1-one Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C25H29N3O3/c1-3-31-20-12-10-18(11-13-20)8-9-19-14-16-28(17-15-19)25(30)23-21-6-4-5-7-22(21)24(29)27(2)26-23/h4-7,10-13,19H,3,8-9,14-17H2,1-2H3