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

Systemtic Name: 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-2-phenyl-phthalazin-1-one Openeye Name: 4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-phenyl-phthalazin-1-one CAS Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-2-phenyl-1-phthalazinone IUPAC Name: 4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-phenylphthalazin-1-one Traditional Name: 4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-phenyl-phthalazin-1-one Formula: C27H22N4O2S MolecularWeight: 466.55418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C4=NN(C(=O)C5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C4=NN(C(=O)C5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C27H22N4O2S/c32-26-21-11-5-4-10-20(21)24(29-31(26)19-8-2-1-3-9-19)27(33)30-16-14-18(15-17-30)25-28-22-12-6-7-13-23(22)34-25/h1-13,18H,14-17H2