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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H26N4O2S/c1-16(2)15-29-24(30)19-8-4-3-7-18(19)22(27-29)25(31)28-13-11-17(12-14-28)23-26-20-9-5-6-10-21(20)32-23/h3-10,16-17H,11-15H2,1-2H3