9-methyl-N-[[3-oxidanyl-1-[2-(5-oxidanylidene-1H-pyrazol-2-yl)butyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide

Systemtic Name: 9-methyl-N-[[3-oxidanyl-1-[2-(5-oxidanylidene-1H-pyrazol-2-yl)butyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide Openeye Name: N-[[3-hydroxy-1-[2-(5-oxo-1H-pyrazol-2-yl)butyl]-4-piperidyl]methyl]-9-methyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide CAS Name: N-[[3-hydroxy-1-[2-(5-oxo-1H-pyrazol-2-yl)butyl]-4-piperidinyl]methyl]-9-methyl-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide IUPAC Name: N-[[3-hydroxy-1-[2-(5-oxo-1H-pyrazol-2-yl)butyl]piperidin-4-yl]methyl]-9-methyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide Traditional Name: N-[[3-hydroxy-1-[2-(3-keto-3-pyrazolin-1-yl)butyl]-4-piperidyl]methyl]-9-methyl-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide Formula: C24H34N4O5 MolecularWeight: 458.55056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1CCC(C(C1)O)CNC(=O)C2=C3C(=C(C=C2)C)OCCCO3)N4C=CC(=O)N4

Isomeric SMILES

CCC(CN1CCC(C(C1)O)CNC(=O)C2=C3C(=C(C=C2)C)OCCCO3)N4C=CC(=O)N4

InChI

InChI=1S/C24H34N4O5/c1-3-18(28-10-8-21(30)26-28)14-27-9-7-17(20(29)15-27)13-25-24(31)19-6-5-16(2)22-23(19)33-12-4-11-32-22/h5-6,8,10,17-18,20,29H,3-4,7,9,11-15H2,1-2H3,(H,25,31)(H,26,30)