3-[(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)carbonylamino]propanoate

Systemtic Name: 3-[(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)carbonylamino]propanoate Openeye Name: 3-[(4-benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carbonyl)amino]propanoate CAS Name: 3-[[[4-(6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-oxomethyl]amino]propanoate IUPAC Name: 3-[(4-benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carbonyl)amino]propanoate Traditional Name: 3-[(4-benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carbonyl)amino]propionate Formula: C21H21N4O4- MolecularWeight: 393.41584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3OC4=CC=CC=C42)C(=O)NCCC(=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3OC4=CC=CC=C42)C(=O)NCCC(=O)[O-]

InChI

InChI=1S/C21H22N4O4/c26-19(27)9-10-22-21(28)25-13-11-24(12-14-25)20-15-5-1-3-7-17(15)29-18-8-4-2-6-16(18)23-20/h1-8H,9-14H2,(H,22,28)(H,26,27)/p-1