4-(2-azanyl-2-oxidanylidene-ethoxy)-N-[(3R,4R)-1-(1,3-benzodioxol-5-ylmethyl)-4-oxidanyl-azepan-3-yl]benzamide

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethoxy)-N-[(3R,4R)-1-(1,3-benzodioxol-5-ylmethyl)-4-oxidanyl-azepan-3-yl]benzamide Openeye Name: 4-(2-amino-2-oxo-ethoxy)-N-[(3R,4R)-1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-azepan-3-yl]benzamide CAS Name: 4-(2-amino-2-oxoethoxy)-N-[(3R,4R)-1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-3-azepanyl]benzamide IUPAC Name: 4-(2-amino-2-oxoethoxy)-N-[(3R,4R)-1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxyazepan-3-yl]benzamide Traditional Name: 4-(2-amino-2-keto-ethoxy)-N-[(3R,4R)-4-hydroxy-1-piperonyl-azepan-3-yl]benzamide Formula: C23H27N3O6 MolecularWeight: 441.47698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CN(C1)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=C(C=C4)OCC(=O)N)O

Isomeric SMILES

C1C[C@H]([C@@H](CN(C1)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=C(C=C4)OCC(=O)N)O

InChI

InChI=1S/C23H27N3O6/c24-22(28)13-30-17-6-4-16(5-7-17)23(29)25-18-12-26(9-1-2-19(18)27)11-15-3-8-20-21(10-15)32-14-31-20/h3-8,10,18-19,27H,1-2,9,11-14H2,(H2,24,28)(H,25,29)/t18-,19-/m1/s1