tert-butyl 4-[5-[(4-bromophenyl)carbonylamino]-2-methoxy-phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-[(4-bromophenyl)carbonylamino]-2-methoxy-phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-[(4-bromobenzoyl)amino]-2-methoxy-phenyl]piperazine-1-carboxylate CAS Name: 4-[5-[[(4-bromophenyl)-oxomethyl]amino]-2-methoxyphenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-[(4-bromobenzoyl)amino]-2-methoxyphenyl]piperazine-1-carboxylate Traditional Name: 4-[5-[(4-bromobenzoyl)amino]-2-methoxy-phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H28BrN3O4 MolecularWeight: 490.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C23H28BrN3O4/c1-23(2,3)31-22(29)27-13-11-26(12-14-27)19-15-18(9-10-20(19)30-4)25-21(28)16-5-7-17(24)8-6-16/h5-10,15H,11-14H2,1-4H3,(H,25,28)