4-[2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[4-(4-tert-butylthiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[4-(4-tert-butyl-2-thiazolyl)-1-piperidinyl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-[4-(4-tert-butylthiazol-2-yl)piperidino]-2-keto-ethyl]-2H-phthalazin-1-one Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)C2CCN(CC2)C(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)C2CCN(CC2)C(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H26N4O2S/c1-22(2,3)18-13-29-21(23-18)14-8-10-26(11-9-14)19(27)12-17-15-6-4-5-7-16(15)20(28)25-24-17/h4-7,13-14H,8-12H2,1-3H3,(H,25,28)