N-[(3R,4R)-1-(1,3-benzodioxol-5-ylmethyl)-4-oxidanyl-azepan-3-yl]-4-phenylmethoxy-benzamide

Systemtic Name: N-[(3R,4R)-1-(1,3-benzodioxol-5-ylmethyl)-4-oxidanyl-azepan-3-yl]-4-phenylmethoxy-benzamide Openeye Name: N-[(3R,4R)-1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-azepan-3-yl]-4-benzyloxy-benzamide CAS Name: N-[(3R,4R)-1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-3-azepanyl]-4-phenylmethoxybenzamide IUPAC Name: N-[(3R,4R)-1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxyazepan-3-yl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[(3R,4R)-4-hydroxy-1-piperonyl-azepan-3-yl]benzamide Formula: C28H30N2O5 MolecularWeight: 474.5482

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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)OCC5=CC=CC=C5)O

Isomeric SMILES

C1C[C@H]([C@@H](CN(C1)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)O

InChI

InChI=1S/C28H30N2O5/c31-25-7-4-14-30(16-21-8-13-26-27(15-21)35-19-34-26)17-24(25)29-28(32)22-9-11-23(12-10-22)33-18-20-5-2-1-3-6-20/h1-3,5-6,8-13,15,24-25,31H,4,7,14,16-19H2,(H,29,32)/t24-,25-/m1/s1