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

Systemtic Name: 4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-2-pentyl-phthalazin-1-one Openeye Name: 4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-pentyl-phthalazin-1-one CAS Name: 4-[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-2-pentyl-1-phthalazinone IUPAC Name: 4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-pentylphthalazin-1-one Traditional Name: 2-amyl-4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phthalazin-1-one Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCC(C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC[C@H](C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H28N4O2S/c1-2-3-8-16-30-25(31)20-12-5-4-11-19(20)23(28-30)26(32)29-15-9-10-18(17-29)24-27-21-13-6-7-14-22(21)33-24/h4-7,11-14,18H,2-3,8-10,15-17H2,1H3/t18-/m1/s1