tert-butyl 4-[N'-(2-bromophenyl)-N-phenyl-carbamimidoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[N'-(2-bromophenyl)-N-phenyl-carbamimidoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[N'-(2-bromophenyl)-N-phenyl-carbamimidoyl]piperazine-1-carboxylate CAS Name: 4-[anilino-(2-bromophenyl)iminomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[N'-(2-bromophenyl)-N-phenylcarbamimidoyl]piperazine-1-carboxylate Traditional Name: 4-[N'-(2-bromophenyl)-N-phenyl-amidino]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H27BrN4O2 MolecularWeight: 459.37938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=NC2=CC=CC=C2Br)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=NC2=CC=CC=C2Br)NC3=CC=CC=C3

InChI

InChI=1S/C22H27BrN4O2/c1-22(2,3)29-21(28)27-15-13-26(14-16-27)20(24-17-9-5-4-6-10-17)25-19-12-8-7-11-18(19)23/h4-12H,13-16H2,1-3H3,(H,24,25)