3-[5-[(1S)-2-dibenzofuran-3-yl-1-[(1-dimethoxyphosphoryl-3-naphthalen-1-yl-propyl)amino]ethyl]-1,2,3,4-tetrazol-1-yl]propanenitrile

Systemtic Name: 3-[5-[(1S)-2-dibenzofuran-3-yl-1-[(1-dimethoxyphosphoryl-3-naphthalen-1-yl-propyl)amino]ethyl]-1,2,3,4-tetrazol-1-yl]propanenitrile Openeye Name: 3-[5-[(1S)-2-dibenzofuran-3-yl-1-[[1-dimethoxyphosphoryl-3-(1-naphthyl)propyl]amino]ethyl]tetrazol-1-yl]propanenitrile CAS Name: 3-[5-[(1S)-2-(3-dibenzofuranyl)-1-[[1-dimethoxyphosphoryl-3-(1-naphthalenyl)propyl]amino]ethyl]-1-tetrazolyl]propanenitrile IUPAC Name: 3-[5-[(1S)-2-dibenzofuran-3-yl-1-[(1-dimethoxyphosphoryl-3-naphthalen-1-ylpropyl)amino]ethyl]tetrazol-1-yl]propanenitrile Traditional Name: 3-[5-[(1S)-2-dibenzofuran-3-yl-1-[[1-dimethoxyphosphoryl-3-(1-naphthyl)propyl]amino]ethyl]tetrazol-1-yl]propionitrile Formula: C33H33N6O4P MolecularWeight: 608.626681

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(C(CCC1=CC=CC2=CC=CC=C21)NC(CC3=CC4=C(C=C3)C5=CC=CC=C5O4)C6=NN=NN6CCC#N)OC

Isomeric SMILES

COP(=O)(C(CCC1=CC=CC2=CC=CC=C21)N[C@@H](CC3=CC4=C(C=C3)C5=CC=CC=C5O4)C6=NN=NN6CCC#N)OC

InChI

InChI=1S/C33H33N6O4P/c1-41-44(40,42-2)32(18-16-25-11-7-10-24-9-3-4-12-26(24)25)35-29(33-36-37-38-39(33)20-8-19-34)21-23-15-17-28-27-13-5-6-14-30(27)43-31(28)22-23/h3-7,9-15,17,22,29,32,35H,8,16,18,20-21H2,1-2H3/t29-,32?/m0/s1