2-[[3-[(E)-[1-(4-bromanyl-3-methyl-phenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-2-methyl-indol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[3-[(E)-[1-(4-bromanyl-3-methyl-phenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-2-methyl-indol-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[3-[(E)-[1-(4-bromo-3-methyl-phenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]-2-methyl-indol-1-yl]methyl]benzonitrile CAS Name: 2-[[3-[(E)-[1-(4-bromo-3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methyl-1-indolyl]methyl]benzonitrile IUPAC Name: 2-[[3-[(E)-[1-(4-bromo-3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methylindol-1-yl]methyl]benzonitrile Traditional Name: 2-[[3-[(E)-[1-(4-bromo-3-methyl-phenyl)-2,4,6-triketo-hexahydropyrimidin-5-ylidene]methyl]-2-methyl-indol-1-yl]methyl]benzonitrile Formula: C29H21BrN4O3 MolecularWeight: 553.40604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=O)C(=CC3=C(N(C4=CC=CC=C43)CC5=CC=CC=C5C#N)C)C(=O)NC2=O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=O)/C(=C/C3=C(N(C4=CC=CC=C43)CC5=CC=CC=C5C#N)C)/C(=O)NC2=O)Br

InChI

InChI=1S/C29H21BrN4O3/c1-17-13-21(11-12-25(17)30)34-28(36)24(27(35)32-29(34)37)14-23-18(2)33(26-10-6-5-9-22(23)26)16-20-8-4-3-7-19(20)15-31/h3-14H,16H2,1-2H3,(H,32,35,37)/b24-14+