(phenylmethyl) 4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepane-1-carboxylate CAS Name: 4-(6-benzo[b][1,4]benzoxazepinyl)-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepane-1-carboxylate Traditional Name: 4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C26H25N3O3 MolecularWeight: 427.495

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

Isomeric SMILES

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

InChI

InChI=1S/C26H25N3O3/c30-26(31-19-20-9-2-1-3-10-20)29-16-8-15-28(17-18-29)25-21-11-4-6-13-23(21)32-24-14-7-5-12-22(24)27-25/h1-7,9-14H,8,15-19H2