4-methyl-2-[2-[(3R)-3-naphthalen-2-ylcarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl]phthalazin-1-one

Systemtic Name: 4-methyl-2-[2-[(3R)-3-naphthalen-2-ylcarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl]phthalazin-1-one Openeye Name: 4-methyl-2-[2-[(3R)-3-(naphthalene-2-carbonyl)-1-piperidyl]-2-oxo-ethyl]phthalazin-1-one CAS Name: 4-methyl-2-[2-[(3R)-3-[2-naphthalenyl(oxo)methyl]-1-piperidinyl]-2-oxoethyl]-1-phthalazinone IUPAC Name: 4-methyl-2-[2-[(3R)-3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-oxoethyl]phthalazin-1-one Traditional Name: 2-[2-keto-2-[(3R)-3-(2-naphthoyl)piperidino]ethyl]-4-methyl-phthalazin-1-one Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCCC(C3)C(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCC[C@H](C3)C(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H25N3O3/c1-18-23-10-4-5-11-24(23)27(33)30(28-18)17-25(31)29-14-6-9-22(16-29)26(32)21-13-12-19-7-2-3-8-20(19)15-21/h2-5,7-8,10-13,15,22H,6,9,14,16-17H2,1H3/t22-/m1/s1