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

Systemtic Name: 4-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]carbonyl-2-phenyl-phthalazin-1-one Openeye Name: 4-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-2-phenyl-phthalazin-1-one CAS Name: 4-[[3-(1,3-benzoxazol-2-yl)-1-piperidinyl]-oxomethyl]-2-phenyl-1-phthalazinone IUPAC Name: 4-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-2-phenylphthalazin-1-one Traditional Name: 4-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-2-phenyl-phthalazin-1-one Formula: C27H22N4O3 MolecularWeight: 450.48858

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C5=NC6=CC=CC=C6O5

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C5=NC6=CC=CC=C6O5

InChI

InChI=1S/C27H22N4O3/c32-26-21-13-5-4-12-20(21)24(29-31(26)19-10-2-1-3-11-19)27(33)30-16-8-9-18(17-30)25-28-22-14-6-7-15-23(22)34-25/h1-7,10-15,18H,8-9,16-17H2