hept-3-ynyl 4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperazine-1-carboxylate

Systemtic Name: hept-3-ynyl 4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperazine-1-carboxylate Openeye Name: hept-3-ynyl 4-[(2-bromo-4,5-dimethoxy-phenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-piperazinecarboxylic acid hept-3-ynyl ester IUPAC Name: hept-3-ynyl 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-(2-bromo-4,5-dimethoxy-benzyl)piperazine-1-carboxylic acid hept-3-ynyl ester Formula: C21H29BrN2O4 MolecularWeight: 453.36996

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCOC(=O)N1CCN(CC1)CC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

CCCC#CCCOC(=O)N1CCN(CC1)CC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C21H29BrN2O4/c1-4-5-6-7-8-13-28-21(25)24-11-9-23(10-12-24)16-17-14-19(26-2)20(27-3)15-18(17)22/h14-15H,4-5,8-13,16H2,1-3H3