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

Systemtic Name: 2-[3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-oxidanylidene-propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-(azepane-1-carbonyl)-1-piperidyl]-3-oxo-propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-oxopropyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(azepane-1-carbonyl)piperidino]-3-keto-propyl]isoindoline-1,3-quinone Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H29N3O4/c27-20(11-16-26-22(29)18-7-3-4-8-19(18)23(26)30)24-14-9-17(10-15-24)21(28)25-12-5-1-2-6-13-25/h3-4,7-8,17H,1-2,5-6,9-16H2