1-(azocan-1-yl)-3-(2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one

Systemtic Name: 1-(azocan-1-yl)-3-(2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one Openeye Name: 1-(azocan-1-yl)-3-(2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one CAS Name: 1-(1-azocanyl)-3-(2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-propanone IUPAC Name: 1-(azocan-1-yl)-3-(2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one Traditional Name: 1-(azocan-1-yl)-3-(2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one Formula: C21H32N2O2 MolecularWeight: 344.49098

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC2=C(O1)C=CC(=C2)C)CCC(=O)N3CCCCCCC3

Isomeric SMILES

CC1CN(CC2=C(O1)C=CC(=C2)C)CCC(=O)N3CCCCCCC3

InChI

InChI=1S/C21H32N2O2/c1-17-8-9-20-19(14-17)16-22(15-18(2)25-20)13-10-21(24)23-11-6-4-3-5-7-12-23/h8-9,14,18H,3-7,10-13,15-16H2,1-2H3