tert-butyl 4-[N-(2-cyano-4,5-dimethoxy-3-phenyl-phenyl)-C-methyl-carbonimidoyl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[N-(2-cyano-4,5-dimethoxy-3-phenyl-phenyl)-C-methyl-carbonimidoyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[N-(2-cyano-4,5-dimethoxy-3-phenyl-phenyl)-C-methyl-carbonimidoyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[1-(2-cyano-4,5-dimethoxy-3-phenylphenyl)iminoethyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[N-(2-cyano-4,5-dimethoxy-3-phenylphenyl)-C-methylcarbonimidoyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[N-(2-cyano-4,5-dimethoxy-3-phenyl-phenyl)-C-methyl-carbonimidoyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C27H34N4O4 MolecularWeight: 478.58326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1=CC(=C(C(=C1C#N)C2=CC=CC=C2)OC)OC)N3CCCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=NC1=CC(=C(C(=C1C#N)C2=CC=CC=C2)OC)OC)N3CCCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H34N4O4/c1-19(30-13-10-14-31(16-15-30)26(32)35-27(2,3)4)29-22-17-23(33-5)25(34-6)24(21(22)18-28)20-11-8-7-9-12-20/h7-9,11-12,17H,10,13-16H2,1-6H3