1-[4-[[5-(1,3-benzodioxol-5-yl)-1-methyl-imidazol-2-yl]amino]-4-oxidanylidene-butanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[4-[[5-(1,3-benzodioxol-5-yl)-1-methyl-imidazol-2-yl]amino]-4-oxidanylidene-butanoyl]piperidine-4-carboxamide Openeye Name: 1-[4-[[5-(1,3-benzodioxol-5-yl)-1-methyl-imidazol-2-yl]amino]-4-oxo-butanoyl]piperidine-4-carboxamide CAS Name: 1-[4-[[5-(1,3-benzodioxol-5-yl)-1-methyl-2-imidazolyl]amino]-1,4-dioxobutyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-[[5-(1,3-benzodioxol-5-yl)-1-methylimidazol-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide Traditional Name: 1-[4-[[5-(1,3-benzodioxol-5-yl)-1-methyl-imidazol-2-yl]amino]-4-keto-butanoyl]isonipecotamide Formula: C21H25N5O5 MolecularWeight: 427.4537

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1NC(=O)CCC(=O)N2CCC(CC2)C(=O)N)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C(=CN=C1NC(=O)CCC(=O)N2CCC(CC2)C(=O)N)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N5O5/c1-25-15(14-2-3-16-17(10-14)31-12-30-16)11-23-21(25)24-18(27)4-5-19(28)26-8-6-13(7-9-26)20(22)29/h2-3,10-11,13H,4-9,12H2,1H3,(H2,22,29)(H,23,24,27)