3-butyl-6-phenethyl-4-[[1-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]indol-4-yl]methyl]-1,2,4-oxadiazin-5-one

Systemtic Name: 3-butyl-6-phenethyl-4-[[1-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]indol-4-yl]methyl]-1,2,4-oxadiazin-5-one Openeye Name: 3-butyl-6-phenethyl-4-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]-1,2,4-oxadiazin-5-one CAS Name: 3-butyl-6-phenethyl-4-[[1-[2-(2H-tetrazol-5-yl)phenyl]-4-indolyl]methyl]-1,2,4-oxadiazin-5-one IUPAC Name: 3-butyl-6-phenethyl-4-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]-1,2,4-oxadiazin-5-one Traditional Name: 3-butyl-6-phenethyl-4-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]-1,2,4-oxadiazin-5-one Formula: C31H31N7O2 MolecularWeight: 533.62354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NOC(C(=O)N1CC2=C3C=CN(C3=CC=C2)C4=CC=CC=C4C5=NNN=N5)CCC6=CC=CC=C6

Isomeric SMILES

CCCCC1=NOC(C(=O)N1CC2=C3C=CN(C3=CC=C2)C4=CC=CC=C4C5=NNN=N5)CCC6=CC=CC=C6

InChI

InChI=1S/C31H31N7O2/c1-2-3-16-29-34-40-28(18-17-22-10-5-4-6-11-22)31(39)38(29)21-23-12-9-15-26-24(23)19-20-37(26)27-14-8-7-13-25(27)30-32-35-36-33-30/h4-15,19-20,28H,2-3,16-18,21H2,1H3,(H,32,33,35,36)