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

Systemtic Name: 2-[[3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonylphenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[3-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-oxomethyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]benzyl]isoindoline-1,3-quinone Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC(=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC(=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C28H31N3O4/c32-25(29-14-5-1-2-6-15-29)21-12-16-30(17-13-21)26(33)22-9-7-8-20(18-22)19-31-27(34)23-10-3-4-11-24(23)28(31)35/h3-4,7-11,18,21H,1-2,5-6,12-17,19H2