3-azanyl-4-[2-[3-[2,4-bis(oxidanyl)phenyl]propanoyl]-4-methyl-piperazin-1-yl]-4-oxidanylidene-butanamide

Systemtic Name: 3-azanyl-4-[2-[3-[2,4-bis(oxidanyl)phenyl]propanoyl]-4-methyl-piperazin-1-yl]-4-oxidanylidene-butanamide Openeye Name: 3-amino-4-[2-[3-(2,4-dihydroxyphenyl)propanoyl]-4-methyl-piperazin-1-yl]-4-oxo-butanamide CAS Name: 3-amino-4-[2-[3-(2,4-dihydroxyphenyl)-1-oxopropyl]-4-methyl-1-piperazinyl]-4-oxobutanamide IUPAC Name: 3-amino-4-[2-[3-(2,4-dihydroxyphenyl)propanoyl]-4-methylpiperazin-1-yl]-4-oxobutanamide Traditional Name: 3-amino-4-[2-[3-(2,4-dihydroxyphenyl)propanoyl]-4-methyl-piperazino]-4-keto-butyramide Formula: C18H26N4O5 MolecularWeight: 378.42284

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C(=O)CCC2=C(C=C(C=C2)O)O)C(=O)C(CC(=O)N)N

Isomeric SMILES

CN1CCN(C(C1)C(=O)CCC2=C(C=C(C=C2)O)O)C(=O)C(CC(=O)N)N

InChI

InChI=1S/C18H26N4O5/c1-21-6-7-22(18(27)13(19)9-17(20)26)14(10-21)15(24)5-3-11-2-4-12(23)8-16(11)25/h2,4,8,13-14,23,25H,3,5-7,9-10,19H2,1H3,(H2,20,26)