(3R,4S)-N-(4-diethoxyphosphorylbutyl)-3-(2-nitrophenyl)-1-oxidanylidene-2-phenethyl-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: (3R,4S)-N-(4-diethoxyphosphorylbutyl)-3-(2-nitrophenyl)-1-oxidanylidene-2-phenethyl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: (3R,4S)-N-(4-diethoxyphosphorylbutyl)-3-(2-nitrophenyl)-1-oxo-2-phenethyl-3,4-dihydroisoquinoline-4-carboxamide CAS Name: (3R,4S)-N-(4-diethoxyphosphorylbutyl)-3-(2-nitrophenyl)-1-oxo-2-phenethyl-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: (3R,4S)-N-(4-diethoxyphosphorylbutyl)-3-(2-nitrophenyl)-1-oxo-2-phenethyl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: (3R,4S)-N-(4-diethoxyphosphorylbutyl)-1-keto-3-(2-nitrophenyl)-2-phenethyl-3,4-dihydroisoquinoline-4-carboxamide Formula: C32H38N3O7P MolecularWeight: 607.633781

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCCNC(=O)C1C(N(C(=O)C2=CC=CC=C12)CCC3=CC=CC=C3)C4=CC=CC=C4[N+](=O)[O-])OCC

Isomeric SMILES

CCOP(=O)(CCCCNC(=O)[C@@H]1[C@@H](N(C(=O)C2=CC=CC=C12)CCC3=CC=CC=C3)C4=CC=CC=C4[N+](=O)[O-])OCC

InChI

InChI=1S/C32H38N3O7P/c1-3-41-43(40,42-4-2)23-13-12-21-33-31(36)29-25-16-8-9-17-26(25)32(37)34(22-20-24-14-6-5-7-15-24)30(29)27-18-10-11-19-28(27)35(38)39/h5-11,14-19,29-30H,3-4,12-13,20-23H2,1-2H3,(H,33,36)/t29-,30-/m0/s1