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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=CC=CC=C3O2)N4CCN(CC4)C(=O)CC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=CC=CC=C3O2)N4CCN(CC4)C(=O)CC(=O)OC

InChI

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