6-ethyl-6-(4-phenethylphenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one

Systemtic Name: 6-ethyl-6-(4-phenethylphenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one Openeye Name: 6-ethyl-6-(4-phenethylphenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one CAS Name: 6-ethyl-6-(4-phenethylphenyl)-7-pyrrolo[2,1-d][1,5]benzoxazepinone IUPAC Name: 6-ethyl-6-(4-phenethylphenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one Traditional Name: 6-ethyl-6-(4-phenethylphenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one Formula: C28H25NO2 MolecularWeight: 407.5036

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)C2=CC=CN2C3=CC=CC=C3O1)C4=CC=C(C=C4)CCC5=CC=CC=C5

Isomeric SMILES

CCC1(C(=O)C2=CC=CN2C3=CC=CC=C3O1)C4=CC=C(C=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C28H25NO2/c1-2-28(23-18-16-22(17-19-23)15-14-21-9-4-3-5-10-21)27(30)25-12-8-20-29(25)24-11-6-7-13-26(24)31-28/h3-13,16-20H,2,14-15H2,1H3