2-(4-nitroimidazol-1-yl)-5-phenyl-1-pyrrolidin-1-yl-pentan-1-one

Systemtic Name: 2-(4-nitroimidazol-1-yl)-5-phenyl-1-pyrrolidin-1-yl-pentan-1-one Openeye Name: 2-(4-nitroimidazol-1-yl)-5-phenyl-1-pyrrolidin-1-yl-pentan-1-one CAS Name: 2-(4-nitro-1-imidazolyl)-5-phenyl-1-(1-pyrrolidinyl)-1-pentanone IUPAC Name: 2-(4-nitroimidazol-1-yl)-5-phenyl-1-pyrrolidin-1-ylpentan-1-one Traditional Name: 2-(4-nitroimidazol-1-yl)-5-phenyl-1-pyrrolidino-pentan-1-one Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(CCCC2=CC=CC=C2)N3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)C(CCCC2=CC=CC=C2)N3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O3/c23-18(20-11-4-5-12-20)16(21-13-17(19-14-21)22(24)25)10-6-9-15-7-2-1-3-8-15/h1-3,7-8,13-14,16H,4-6,9-12H2