4-(2-methylimidazol-1-yl)-2,2-diphenyl-butanenitrile; phosphoric acid; hydrate

Systemtic Name: 4-(2-methylimidazol-1-yl)-2,2-diphenyl-butanenitrile; phosphoric acid; hydrate Openeye Name: 4-(2-methylimidazol-1-yl)-2,2-diphenyl-butanenitrile; phosphoric acid; hydrate CAS Name: 4-(2-methyl-1-imidazolyl)-2,2-diphenylbutanenitrile; phosphoric acid; hydrate IUPAC Name: 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanenitrile; phosphoric acid; hydrate Traditional Name: 4-(2-methylimidazol-1-yl)-2,2-diphenyl-butyronitrile; phosphoric acid; hydrate Formula: C20H24N3O5P MolecularWeight: 417.395421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3.O.OP(=O)(O)O

Isomeric SMILES

CC1=NC=CN1CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3.O.OP(=O)(O)O

InChI

InChI=1S/C20H19N3.H3O4P.H2O/c1-17-22-13-15-23(17)14-12-20(16-21,18-8-4-2-5-9-18)19-10-6-3-7-11-19;1-5(2,3)4;/h2-11,13,15H,12,14H2,1H3;(H3,1,2,3,4);1H2