(5-bromanyl-2-methoxy-phenyl)methyl 4-[(9-ethylcarbazol-3-yl)methyl]piperazine-1-carboxylate

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl 4-[(9-ethylcarbazol-3-yl)methyl]piperazine-1-carboxylate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl 4-[(9-ethylcarbazol-3-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(9-ethyl-3-carbazolyl)methyl]-1-piperazinecarboxylic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl 4-[(9-ethylcarbazol-3-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(9-ethylcarbazol-3-yl)methyl]piperazine-1-carboxylic acid (5-bromo-2-methoxy-benzyl) ester Formula: C28H30BrN3O3 MolecularWeight: 536.4601

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)CN3CCN(CC3)C(=O)OCC4=C(C=CC(=C4)Br)OC)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)CN3CCN(CC3)C(=O)OCC4=C(C=CC(=C4)Br)OC)C5=CC=CC=C51

InChI

InChI=1S/C28H30BrN3O3/c1-3-32-25-7-5-4-6-23(25)24-16-20(8-10-26(24)32)18-30-12-14-31(15-13-30)28(33)35-19-21-17-22(29)9-11-27(21)34-2/h4-11,16-17H,3,12-15,18-19H2,1-2H3