2-butyl-1,3-bis(oxidanylidene)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]isoindole-5-carboxamide

Systemtic Name: 2-butyl-1,3-bis(oxidanylidene)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]isoindole-5-carboxamide Openeye Name: 2-butyl-1,3-dioxo-N-[3-(2-oxoazepan-1-yl)propyl]isoindoline-5-carboxamide CAS Name: 2-butyl-1,3-dioxo-N-[3-(2-oxo-1-azepanyl)propyl]-5-isoindolecarboxamide IUPAC Name: 2-butyl-1,3-dioxo-N-[3-(2-oxoazepan-1-yl)propyl]isoindole-5-carboxamide Traditional Name: 2-butyl-1,3-diketo-N-[3-(2-ketoazepan-1-yl)propyl]isoindoline-5-carboxamide Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCCCN3CCCCCC3=O

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCCCN3CCCCCC3=O

InChI

InChI=1S/C22H29N3O4/c1-2-3-14-25-21(28)17-10-9-16(15-18(17)22(25)29)20(27)23-11-7-13-24-12-6-4-5-8-19(24)26/h9-10,15H,2-8,11-14H2,1H3,(H,23,27)