N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(3S)-2-oxoazepan-3-yl]-N-[[4-(2-pyridylmethoxy)phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(3S)-2-oxo-3-azepanyl]-N-[[4-(2-pyridinylmethoxy)phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(3S)-2-oxoazepan-3-yl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-N-[4-(2-pyridylmethoxy)benzyl]-piperonylamide Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=CC=C(C=C2)OCC3=CC=CC=N3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCNC(=O)[C@H](C1)N(CC2=CC=C(C=C2)OCC3=CC=CC=N3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H27N3O5/c31-26-23(6-2-4-14-29-26)30(27(32)20-9-12-24-25(15-20)35-18-34-24)16-19-7-10-22(11-8-19)33-17-21-5-1-3-13-28-21/h1,3,5,7-13,15,23H,2,4,6,14,16-18H2,(H,29,31)/t23-/m0/s1