N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S)-7-chloranyl-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S)-7-chloranyl-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S)-7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S)-7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S)-7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide Traditional Name: 2-[(2S)-7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-piperonyl-acetamide Formula: C20H21ClN2O4 MolecularWeight: 388.84474

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC2=C(O1)C=CC(=C2)Cl)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H]1CN(CC2=C(O1)C=CC(=C2)Cl)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21ClN2O4/c1-13-9-23(10-15-7-16(21)3-5-17(15)27-13)11-20(24)22-8-14-2-4-18-19(6-14)26-12-25-18/h2-7,13H,8-12H2,1H3,(H,22,24)/t13-/m0/s1