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

Systemtic Name: 4-(7-cyano-4-oxidanyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine-1-carboxylate Openeye Name: 4-(7-cyano-4-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine-1-carboxylate CAS Name: 4-(7-cyano-4-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-1-piperazinecarboxylate IUPAC Name: 4-(7-cyano-4-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine-1-carboxylate Traditional Name: 4-(7-cyano-4-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine-1-carboxylate Formula: C16H18N3O4- MolecularWeight: 316.33182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4/c17-10-11-1-2-14-12(9-11)15(13(20)3-8-23-14)18-4-6-19(7-5-18)16(21)22/h1-2,9,13,15,20H,3-8H2,(H,21,22)/p-1