N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S)-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S)-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S)-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S)-2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S)-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide Traditional Name: N-piperonyl-2-[(2S)-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2CN1CC(=O)NCC3=CC4=C(C=C3)OCO4)C5=CSC=C5

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2CN1CC(=O)NCC3=CC4=C(C=C3)OCO4)C5=CSC=C5

InChI

InChI=1S/C23H22N2O4S/c26-23(24-10-16-5-6-20-21(9-16)28-15-27-20)13-25-11-17-3-1-2-4-19(17)29-22(12-25)18-7-8-30-14-18/h1-9,14,22H,10-13,15H2,(H,24,26)/t22-/m1/s1