4-(7-bromanyl-4-oxidanyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine-1-carboxylate

Systemtic Name: 4-(7-bromanyl-4-oxidanyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine-1-carboxylate Openeye Name: 4-(7-bromo-4-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine-1-carboxylate CAS Name: 4-(7-bromo-4-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-1-piperazinecarboxylate IUPAC Name: 4-(7-bromo-4-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine-1-carboxylate Traditional Name: 4-(7-bromo-4-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine-1-carboxylate Formula: C15H18BrN2O4- MolecularWeight: 370.21842

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)Br)C(C1O)N3CCN(CC3)C(=O)[O-]

Isomeric SMILES

C1COC2=C(C=C(C=C2)Br)C(C1O)N3CCN(CC3)C(=O)[O-]

InChI

InChI=1S/C15H19BrN2O4/c16-10-1-2-13-11(9-10)14(12(19)3-8-22-13)17-4-6-18(7-5-17)15(20)21/h1-2,9,12,14,19H,3-8H2,(H,20,21)/p-1