N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2,2-dimethyl-4-oxidanylidene-3H-pyran-6-carboxamide

Systemtic Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2,2-dimethyl-4-oxidanylidene-3H-pyran-6-carboxamide Openeye Name: N-[(1S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(hydroxymethyl)-2-oxo-ethyl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide CAS Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-hydroxy-1-oxopropan-2-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide IUPAC Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide Traditional Name: 4-keto-N-[(1S)-2-keto-1-methylol-2-(4-piperonylpiperazino)ethyl]-2,2-dimethyl-3H-pyran-6-carboxamide Formula: C23H29N3O7 MolecularWeight: 459.49226

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C=C(O1)C(=O)NC(CO)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1(CC(=O)C=C(O1)C(=O)N[C@@H](CO)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C23H29N3O7/c1-23(2)11-16(28)10-20(33-23)21(29)24-17(13-27)22(30)26-7-5-25(6-8-26)12-15-3-4-18-19(9-15)32-14-31-18/h3-4,9-10,17,27H,5-8,11-14H2,1-2H3,(H,24,29)/t17-/m0/s1