ethyl 3-[5-cyano-4-[1-(4-cyanobutyl)indol-3-yl]-2-oxidanylidene-1H-imidazol-3-yl]indole-1-carboxylate

Systemtic Name: ethyl 3-[5-cyano-4-[1-(4-cyanobutyl)indol-3-yl]-2-oxidanylidene-1H-imidazol-3-yl]indole-1-carboxylate Openeye Name: ethyl 3-[5-cyano-4-[1-(4-cyanobutyl)indol-3-yl]-2-oxo-1H-imidazol-3-yl]indole-1-carboxylate CAS Name: 3-[5-cyano-4-[1-(4-cyanobutyl)-3-indolyl]-2-oxo-1H-imidazol-3-yl]-1-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[5-cyano-4-[1-(4-cyanobutyl)indol-3-yl]-2-oxo-1H-imidazol-3-yl]indole-1-carboxylate Traditional Name: 3-[4-cyano-5-[1-(4-cyanobutyl)indol-3-yl]-2-keto-4-imidazolin-1-yl]indole-1-carboxylic acid ethyl ester Formula: C28H24N6O3 MolecularWeight: 492.52856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=C(C2=CC=CC=C21)N3C(=C(NC3=O)C#N)C4=CN(C5=CC=CC=C54)CCCCC#N

Isomeric SMILES

CCOC(=O)N1C=C(C2=CC=CC=C21)N3C(=C(NC3=O)C#N)C4=CN(C5=CC=CC=C54)CCCCC#N

InChI

InChI=1S/C28H24N6O3/c1-2-37-28(36)33-18-25(20-11-5-7-13-24(20)33)34-26(22(16-30)31-27(34)35)21-17-32(15-9-3-8-14-29)23-12-6-4-10-19(21)23/h4-7,10-13,17-18H,2-3,8-9,15H2,1H3,(H,31,35)