2-[[4-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]carbonylphenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]carbonylphenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-[[3-(1,3-benzoxazol-2-yl)-1-piperidinyl]-oxomethyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[4-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]benzyl]isoindoline-1,3-quinone Formula: C28H23N3O4 MolecularWeight: 465.49992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4C3=O)C5=NC6=CC=CC=C6O5

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4C3=O)C5=NC6=CC=CC=C6O5

InChI

InChI=1S/C28H23N3O4/c32-26(30-15-5-6-20(17-30)25-29-23-9-3-4-10-24(23)35-25)19-13-11-18(12-14-19)16-31-27(33)21-7-1-2-8-22(21)28(31)34/h1-4,7-14,20H,5-6,15-17H2