9-methyl-N-[[3-oxidanyl-1-[4-(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-[4-(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-[4-(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-[4-(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-[4-(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-[4-(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:

CC1=C2C(=C(C=C1)C(=O)NCC3CCN(CC3O)CCCCN4C=CC(=O)N4)OCCCO2

Isomeric SMILES

CC1=C2C(=C(C=C1)C(=O)NCC3CCN(CC3O)CCCCN4C=CC(=O)N4)OCCCO2

InChI

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