7-(5-imidazol-1-ylpentyl)-1-methyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione

Systemtic Name: 7-(5-imidazol-1-ylpentyl)-1-methyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione Openeye Name: 7-(5-imidazol-1-ylpentyl)-1-methyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione CAS Name: 7-[5-(1-imidazolyl)pentyl]-1-methyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione IUPAC Name: 7-(5-imidazol-1-ylpentyl)-1-methyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione Traditional Name: 7-(5-imidazol-1-ylpentyl)-1-methyl-5,6-dihydropyrrol[2,3-c]azepine-4,8-quinone Formula: C17H22N4O2 MolecularWeight: 314.38218

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C1C(=O)N(CCC2=O)CCCCCN3C=CN=C3

Isomeric SMILES

CN1C=CC2=C1C(=O)N(CCC2=O)CCCCCN3C=CN=C3

InChI

InChI=1S/C17H22N4O2/c1-19-10-5-14-15(22)6-11-21(17(23)16(14)19)9-4-2-3-8-20-12-7-18-13-20/h5,7,10,12-13H,2-4,6,8-9,11H2,1H3