4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-2-ethyl-phthalazin-1-one

Systemtic Name: 4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-2-ethyl-phthalazin-1-one Openeye Name: 4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-ethyl-phthalazin-1-one CAS Name: 4-[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-2-ethyl-1-phthalazinone IUPAC Name: 4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-ethylphthalazin-1-one Traditional Name: 4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-ethyl-phthalazin-1-one Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCC(C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC[C@H](C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H22N4O2S/c1-2-27-22(28)17-10-4-3-9-16(17)20(25-27)23(29)26-13-7-8-15(14-26)21-24-18-11-5-6-12-19(18)30-21/h3-6,9-12,15H,2,7-8,13-14H2,1H3/t15-/m1/s1