3-[[1-[4-(2-chlorophenyl)piperazin-1-yl]-1-oxidanylidene-hexan-3-yl]carbamoyl]oxirane-2-carboxylate

Systemtic Name: 3-[[1-[4-(2-chlorophenyl)piperazin-1-yl]-1-oxidanylidene-hexan-3-yl]carbamoyl]oxirane-2-carboxylate Openeye Name: 3-[1-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]butylcarbamoyl]oxirane-2-carboxylate CAS Name: 3-[[[1-[4-(2-chlorophenyl)-1-piperazinyl]-1-oxohexan-3-yl]amino]-oxomethyl]-2-oxiranecarboxylate IUPAC Name: 3-[[1-[4-(2-chlorophenyl)piperazin-1-yl]-1-oxohexan-3-yl]carbamoyl]oxirane-2-carboxylate Traditional Name: 3-[1-[2-[4-(2-chlorophenyl)piperazino]-2-keto-ethyl]butylcarbamoyl]oxirane-2-carboxylate Formula: C20H25ClN3O5- MolecularWeight: 422.8826

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)N1CCN(CC1)C2=CC=CC=C2Cl)NC(=O)C3C(O3)C(=O)[O-]

Isomeric SMILES

CCCC(CC(=O)N1CCN(CC1)C2=CC=CC=C2Cl)NC(=O)C3C(O3)C(=O)[O-]

InChI

InChI=1S/C20H26ClN3O5/c1-2-5-13(22-19(26)17-18(29-17)20(27)28)12-16(25)24-10-8-23(9-11-24)15-7-4-3-6-14(15)21/h3-4,6-7,13,17-18H,2,5,8-12H2,1H3,(H,22,26)(H,27,28)/p-1