methyl 3-(4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepan-1-yl)-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-(4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepan-1-yl)-3-oxidanylidene-propanoate Openeye Name: methyl 3-(4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepan-1-yl)-3-oxo-propanoate CAS Name: 3-[4-(6-benzo[b][1,4]benzoxazepinyl)-1,4-diazepan-1-yl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-(4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepan-1-yl)-3-oxopropanoate Traditional Name: 3-(4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepan-1-yl)-3-keto-propionic acid methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)N1CCCN(CC1)C2=NC3=CC=CC=C3OC4=CC=CC=C42

Isomeric SMILES

COC(=O)CC(=O)N1CCCN(CC1)C2=NC3=CC=CC=C3OC4=CC=CC=C42

InChI

InChI=1S/C22H23N3O4/c1-28-21(27)15-20(26)24-11-6-12-25(14-13-24)22-16-7-2-4-9-18(16)29-19-10-5-3-8-17(19)23-22/h2-5,7-10H,6,11-15H2,1H3