diethyl (5-oxidanylidene-4-phenethyl-3H-1,4-benzodiazepin-2-yl) phosphate

Systemtic Name: diethyl (5-oxidanylidene-4-phenethyl-3H-1,4-benzodiazepin-2-yl) phosphate Openeye Name: diethyl (5-oxo-4-phenethyl-3H-1,4-benzodiazepin-2-yl) phosphate CAS Name: phosphoric acid diethyl (5-oxo-4-phenethyl-3H-1,4-benzodiazepin-2-yl) ester IUPAC Name: diethyl (5-oxo-4-phenethyl-3H-1,4-benzodiazepin-2-yl) phosphate Traditional Name: phosphoric acid diethyl (5-keto-4-phenethyl-3H-1,4-benzodiazepin-2-yl) ester Formula: C21H25N2O5P MolecularWeight: 416.407361

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC)OC1=NC2=CC=CC=C2C(=O)N(C1)CCC3=CC=CC=C3

Isomeric SMILES

CCOP(=O)(OCC)OC1=NC2=CC=CC=C2C(=O)N(C1)CCC3=CC=CC=C3

InChI

InChI=1S/C21H25N2O5P/c1-3-26-29(25,27-4-2)28-20-16-23(15-14-17-10-6-5-7-11-17)21(24)18-12-8-9-13-19(18)22-20/h5-13H,3-4,14-16H2,1-2H3