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

Systemtic Name: tert-butyl 4-[N-(2-cyano-4,5-dimethoxy-3-phenyl-phenyl)-C-methyl-carbonimidoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[N-(2-cyano-4,5-dimethoxy-3-phenyl-phenyl)-C-methyl-carbonimidoyl]piperazine-1-carboxylate CAS Name: 4-[1-(2-cyano-4,5-dimethoxy-3-phenylphenyl)iminoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[N-(2-cyano-4,5-dimethoxy-3-phenylphenyl)-C-methylcarbonimidoyl]piperazine-1-carboxylate Traditional Name: 4-[N-(2-cyano-4,5-dimethoxy-3-phenyl-phenyl)-C-methyl-carbonimidoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H32N4O4 MolecularWeight: 464.55668

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1=CC(=C(C(=C1C#N)C2=CC=CC=C2)OC)OC)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=NC1=CC(=C(C(=C1C#N)C2=CC=CC=C2)OC)OC)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H32N4O4/c1-18(29-12-14-30(15-13-29)25(31)34-26(2,3)4)28-21-16-22(32-5)24(33-6)23(20(21)17-27)19-10-8-7-9-11-19/h7-11,16H,12-15H2,1-6H3