3-[[3-bromanyl-2-(2-nitrophenyl)-1H-inden-5-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carbonitrile

Systemtic Name: 3-[[3-bromanyl-2-(2-nitrophenyl)-1H-inden-5-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carbonitrile Openeye Name: 3-[[3-bromo-2-(2-nitrophenyl)-1H-inden-5-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carbonitrile CAS Name: 3-[[3-bromo-2-(2-nitrophenyl)-1H-inden-5-yl]methyl]-5-cyclopropyl-2-ethyl-4-imidazolecarbonitrile IUPAC Name: 3-[[3-bromo-2-(2-nitrophenyl)-1H-inden-5-yl]methyl]-5-cyclopropyl-2-ethylimidazole-4-carbonitrile Traditional Name: 3-[[3-bromo-2-(2-nitrophenyl)-1H-inden-5-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carbonitrile Formula: C25H21BrN4O2 MolecularWeight: 490.356495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1CC2=CC3=C(CC(=C3Br)C4=CC=CC=C4[N+](=O)[O-])C=C2)C#N)C5CC5

Isomeric SMILES

CCC1=NC(=C(N1CC2=CC3=C(CC(=C3Br)C4=CC=CC=C4[N+](=O)[O-])C=C2)[13C]#N)C5CC5

InChI

InChI=1S/C25H21BrN4O2/c1-2-23-28-25(16-9-10-16)22(13-27)29(23)14-15-7-8-17-12-20(24(26)19(17)11-15)18-5-3-4-6-21(18)30(31)32/h3-8,11,16H,2,9-10,12,14H2,1H3/i13+1