3-butyl-4-[1-(3-oxidanylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione

Systemtic Name: 3-butyl-4-[1-(3-oxidanylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione Openeye Name: 3-butyl-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione CAS Name: 3-butyl-4-[1-(3-hydroxypropyl)-3-pyrrolo[2,3-b]pyridinyl]pyrrole-2,5-dione IUPAC Name: 3-butyl-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione Traditional Name: 3-butyl-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-3-pyrroline-2,5-quinone Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)NC1=O)C2=CN(C3=C2C=CC=N3)CCCO

Isomeric SMILES

CCCCC1=C(C(=O)NC1=O)C2=CN(C3=C2C=CC=N3)CCCO

InChI

InChI=1S/C18H21N3O3/c1-2-3-6-13-15(18(24)20-17(13)23)14-11-21(9-5-10-22)16-12(14)7-4-8-19-16/h4,7-8,11,22H,2-3,5-6,9-10H2,1H3,(H,20,23,24)