methyl 3-(4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazin-1-yl)-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-(4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazin-1-yl)-3-oxidanylidene-propanoate Openeye Name: methyl 3-(4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazin-1-yl)-3-oxo-propanoate CAS Name: 3-[4-(6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-(4-benzo[b][1,4]benzoxazepin-6-yl-2-methylpiperazin-1-yl)-3-oxopropanoate Traditional Name: 3-(4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazino)-3-keto-propionic acid methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC(=O)OC)C2=NC3=CC=CC=C3OC4=CC=CC=C42

Isomeric SMILES

CC1CN(CCN1C(=O)CC(=O)OC)C2=NC3=CC=CC=C3OC4=CC=CC=C42

InChI

InChI=1S/C22H23N3O4/c1-15-14-24(11-12-25(15)20(26)13-21(27)28-2)22-16-7-3-5-9-18(16)29-19-10-6-4-8-17(19)23-22/h3-10,15H,11-14H2,1-2H3