phenyl 7-diphenylphosphoryloxy-2,3,4,5-tetrahydroazepine-1-carboxylate

Systemtic Name: phenyl 7-diphenylphosphoryloxy-2,3,4,5-tetrahydroazepine-1-carboxylate Openeye Name: phenyl 7-diphenylphosphoryloxy-2,3,4,5-tetrahydroazepine-1-carboxylate CAS Name: 7-diphenylphosphoryloxy-2,3,4,5-tetrahydroazepine-1-carboxylic acid phenyl ester IUPAC Name: phenyl 7-diphenylphosphoryloxy-2,3,4,5-tetrahydroazepine-1-carboxylate Traditional Name: 7-diphenylphosphoryloxy-2,3,4,5-tetrahydroazepine-1-carboxylic acid phenyl ester Formula: C25H24NO4P MolecularWeight: 433.436121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=CC1)OP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CCN(C(=CC1)OP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C25H24NO4P/c27-25(29-21-13-5-1-6-14-21)26-20-12-4-11-19-24(26)30-31(28,22-15-7-2-8-16-22)23-17-9-3-10-18-23/h1-3,5-10,13-19H,4,11-12,20H2