5-(azepan-1-ylcarbonyl)-2-(3-morpholin-4-ylpropyl)isoindole-1,3-dione

Systemtic Name: 5-(azepan-1-ylcarbonyl)-2-(3-morpholin-4-ylpropyl)isoindole-1,3-dione Openeye Name: 5-(azepane-1-carbonyl)-2-(3-morpholinopropyl)isoindoline-1,3-dione CAS Name: 5-[1-azepanyl(oxo)methyl]-2-[3-(4-morpholinyl)propyl]isoindole-1,3-dione IUPAC Name: 5-(azepane-1-carbonyl)-2-(3-morpholin-4-ylpropyl)isoindole-1,3-dione Traditional Name: 5-(azepane-1-carbonyl)-2-(3-morpholinopropyl)isoindoline-1,3-quinone Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCCN4CCOCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCCN4CCOCC4

InChI

InChI=1S/C22H29N3O4/c26-20(24-9-3-1-2-4-10-24)17-6-7-18-19(16-17)22(28)25(21(18)27)11-5-8-23-12-14-29-15-13-23/h6-7,16H,1-5,8-15H2