3-(1,3-benzodioxol-5-yl)-1-(8-chloranyl-2-ethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-(8-chloranyl-2-ethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-(8-chloro-2-ethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-(8-chloro-2-ethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-(8-chloro-2-ethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-(8-chloro-2-ethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC2=C(O1)C=C(C=C2)Cl)C(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1CN(CC2=C(O1)C=C(C=C2)Cl)C(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22ClNO4/c1-2-17-12-23(11-15-5-6-16(22)10-19(15)27-17)21(24)8-4-14-3-7-18-20(9-14)26-13-25-18/h3,5-7,9-10,17H,2,4,8,11-13H2,1H3