tert-butyl 4-[4-bromanyl-2-(naphthalen-1-ylcarbonylamino)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-bromanyl-2-(naphthalen-1-ylcarbonylamino)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-bromo-2-(naphthalene-1-carbonylamino)phenyl]piperazine-1-carboxylate CAS Name: 4-[4-bromo-2-[[1-naphthalenyl(oxo)methyl]amino]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-bromo-2-(naphthalene-1-carbonylamino)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-bromo-2-(1-naphthoylamino)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H28BrN3O3 MolecularWeight: 510.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Br)NC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Br)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H28BrN3O3/c1-26(2,3)33-25(32)30-15-13-29(14-16-30)23-12-11-19(27)17-22(23)28-24(31)21-10-6-8-18-7-4-5-9-20(18)21/h4-12,17H,13-16H2,1-3H3,(H,28,31)