2-methyl-4-[4-methyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]phthalazin-1-one

Systemtic Name: 2-methyl-4-[4-methyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]phthalazin-1-one Openeye Name: 4-[3-[(4-benzyl-1-piperidyl)sulfonyl]-4-methyl-phenyl]-2-methyl-phthalazin-1-one CAS Name: 2-methyl-4-[4-methyl-3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]phenyl]-1-phthalazinone IUPAC Name: 4-[3-(4-benzylpiperidin-1-yl)sulfonyl-4-methylphenyl]-2-methylphthalazin-1-one Traditional Name: 4-[3-(4-benzylpiperidino)sulfonyl-4-methyl-phenyl]-2-methyl-phthalazin-1-one Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)S(=O)(=O)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)S(=O)(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O3S/c1-20-12-13-23(27-24-10-6-7-11-25(24)28(32)30(2)29-27)19-26(20)35(33,34)31-16-14-22(15-17-31)18-21-8-4-3-5-9-21/h3-13,19,22H,14-18H2,1-2H3