2-(1,2-dihydroimidazol-3-ylmethyl)-2-(2-phenoxyphenyl)hexanenitrile nitrate

Systemtic Name: 2-(1,2-dihydroimidazol-3-ylmethyl)-2-(2-phenoxyphenyl)hexanenitrile nitrate Openeye Name: 2-(1,2-dihydroimidazol-3-ylmethyl)-2-(2-phenoxyphenyl)hexanenitrile nitrate CAS Name: 2-(1,2-dihydroimidazol-3-ylmethyl)-2-(2-phenoxyphenyl)hexanenitrile nitrate IUPAC Name: 2-(1,2-dihydroimidazol-3-ylmethyl)-2-(2-phenoxyphenyl)hexanenitrile nitrate Traditional Name: 2-(4-imidazolin-1-ylmethyl)-2-(2-phenoxyphenyl)hexanenitrile nitrate Formula: C22H25N4O4- MolecularWeight: 409.4583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1CNC=C1)(C#N)C2=CC=CC=C2OC3=CC=CC=C3.[N+](=O)([O-])[O-]

Isomeric SMILES

CCCCC(CN1CNC=C1)(C#N)C2=CC=CC=C2OC3=CC=CC=C3.[N+](=O)([O-])[O-]

InChI

InChI=1S/C22H25N3O.NO3/c1-2-3-13-22(16-23,17-25-15-14-24-18-25)20-11-7-8-12-21(20)26-19-9-5-4-6-10-19;2-1(3)4/h4-12,14-15,24H,2-3,13,17-18H2,1H3;/q;-1