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

Systemtic Name: 4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-2-butyl-phthalazin-1-one Openeye Name: 4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-butyl-phthalazin-1-one CAS Name: 4-[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-2-butyl-1-phthalazinone IUPAC Name: 4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-butylphthalazin-1-one Traditional Name: 4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-butyl-phthalazin-1-one Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCC(C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC[C@H](C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H26N4O2S/c1-2-3-15-29-24(30)19-11-5-4-10-18(19)22(27-29)25(31)28-14-8-9-17(16-28)23-26-20-12-6-7-13-21(20)32-23/h4-7,10-13,17H,2-3,8-9,14-16H2,1H3/t17-/m1/s1