N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide Openeye Name: N-[(1S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(hydroxymethyl)-2-oxo-ethyl]-7-methoxy-benzofuran-2-carboxamide CAS Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-2-benzofurancarboxamide IUPAC Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(4-piperonylpiperazino)ethyl]-7-methoxy-coumarilamide Formula: C25H27N3O7 MolecularWeight: 481.49778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C(=O)NC(CO)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)N[C@@H](CO)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H27N3O7/c1-32-20-4-2-3-17-12-22(35-23(17)20)24(30)26-18(14-29)25(31)28-9-7-27(8-10-28)13-16-5-6-19-21(11-16)34-15-33-19/h2-6,11-12,18,29H,7-10,13-15H2,1H3,(H,26,30)/t18-/m0/s1