1-[(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)methyl]cyclopropane-1-carboxylic acid

Systemtic Name: 1-[(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)methyl]cyclopropane-1-carboxylic acid Openeye Name: 1-[(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)methyl]cyclopropanecarboxylic acid CAS Name: 1-[[4-(6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]methyl]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)methyl]cyclopropane-1-carboxylic acid Traditional Name: 1-[(4-benzo[b][1,4]benzoxazepin-6-ylpiperazino)methyl]cyclopropanecarboxylic acid Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(CN2CCN(CC2)C3=NC4=CC=CC=C4OC5=CC=CC=C53)C(=O)O

Isomeric SMILES

C1CC1(CN2CCN(CC2)C3=NC4=CC=CC=C4OC5=CC=CC=C53)C(=O)O

InChI

InChI=1S/C22H23N3O3/c26-21(27)22(9-10-22)15-24-11-13-25(14-12-24)20-16-5-1-3-7-18(16)28-19-8-4-2-6-17(19)23-20/h1-8H,9-15H2,(H,26,27)