methyl 3-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-3-oxo-propanoate CAS Name: 3-[4-(9-methoxy-2-methyl-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[4-(9-methoxy-2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-3-oxopropanoate Traditional Name: 3-keto-3-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)piperazino]propionic acid methyl ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=C(C=C3)OC)N4CCN(CC4)C(=O)CC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=C(C=C3)OC)N4CCN(CC4)C(=O)CC(=O)OC

InChI

InChI=1S/C23H25N3O5/c1-15-4-7-18-20(12-15)31-19-13-16(29-2)5-6-17(19)23(24-18)26-10-8-25(9-11-26)21(27)14-22(28)30-3/h4-7,12-13H,8-11,14H2,1-3H3