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

Systemtic Name: tert-butyl 4-[N-(2-bromophenyl)-N'-[(4-methoxyphenyl)methyl]carbamimidoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[N-(2-bromophenyl)-N'-[(4-methoxyphenyl)methyl]carbamimidoyl]piperazine-1-carboxylate CAS Name: 4-[(2-bromoanilino)-[(4-methoxyphenyl)methylimino]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[N-(2-bromophenyl)-N'-[(4-methoxyphenyl)methyl]carbamimidoyl]piperazine-1-carboxylate Traditional Name: 4-[N-(2-bromophenyl)-N'-p-anisyl-amidino]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H31BrN4O3 MolecularWeight: 503.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=NCC2=CC=C(C=C2)OC)NC3=CC=CC=C3Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=NCC2=CC=C(C=C2)OC)NC3=CC=CC=C3Br

InChI

InChI=1S/C24H31BrN4O3/c1-24(2,3)32-23(30)29-15-13-28(14-16-29)22(27-21-8-6-5-7-20(21)25)26-17-18-9-11-19(31-4)12-10-18/h5-12H,13-17H2,1-4H3,(H,26,27)