[6-(4-methylphenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-yl] ethanoate

Systemtic Name: [6-(4-methylphenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-yl] ethanoate Openeye Name: [6-(p-tolyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-yl] acetate CAS Name: acetic acid [6-(4-methylphenyl)-7-pyrrolo[2,1-d][1,5]benzoxazepinyl] ester IUPAC Name: [6-(4-methylphenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-yl] acetate Traditional Name: acetic acid [6-(p-tolyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-yl] ester Formula: C21H17NO3 MolecularWeight: 331.36458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C3=CC=CN3C4=CC=CC=C4O2)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C3=CC=CN3C4=CC=CC=C4O2)OC(=O)C

InChI

InChI=1S/C21H17NO3/c1-14-9-11-16(12-10-14)20-21(24-15(2)23)18-7-5-13-22(18)17-6-3-4-8-19(17)25-20/h3-13H,1-2H3