2-[5-azanyl-4-[(Z)-C-cyano-N-(phenylcarbonylcarbamoyl)carbonimidoyl]imidazol-1-yl]ethyl N-phenylcarbamate

Systemtic Name: 2-[5-azanyl-4-[(Z)-C-cyano-N-(phenylcarbonylcarbamoyl)carbonimidoyl]imidazol-1-yl]ethyl N-phenylcarbamate Openeye Name: 2-[5-amino-4-[(Z)-N-(benzoylcarbamoyl)-C-cyano-carbonimidoyl]imidazol-1-yl]ethyl N-phenylcarbamate CAS Name: N-phenylcarbamic acid 2-[5-amino-4-[(Z)-[benzamido(oxo)methyl]imino-cyanomethyl]-1-imidazolyl]ethyl ester IUPAC Name: 2-[5-amino-4-[(Z)-N-(benzoylcarbamoyl)-C-cyanocarbonimidoyl]imidazol-1-yl]ethyl N-phenylcarbamate Traditional Name: N-phenylcarbamic acid 2-[5-amino-4-[(Z)-N-(benzoylcarbamoyl)-C-cyano-carbonimidoyl]imidazol-1-yl]ethyl ester Formula: C22H19N7O4 MolecularWeight: 445.43076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=O)N=C(C#N)C2=C(N(C=N2)CCOC(=O)NC3=CC=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=O)/N=C(\C#N)/C2=C(N(C=N2)CCOC(=O)NC3=CC=CC=C3)N

InChI

InChI=1S/C22H19N7O4/c23-13-17(27-21(31)28-20(30)15-7-3-1-4-8-15)18-19(24)29(14-25-18)11-12-33-22(32)26-16-9-5-2-6-10-16/h1-10,14H,11-12,24H2,(H,26,32)(H,28,30,31)/b27-17+