ethyl 2-[4-(3-chloranylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-2-yl]-2-methyl-butanoate

Systemtic Name: ethyl 2-[4-(3-chloranylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-2-yl]-2-methyl-butanoate Openeye Name: ethyl 2-[4-(3-chlorobenzo[b][1,4]benzoxazepin-6-yl)piperazin-2-yl]-2-methyl-butanoate CAS Name: 2-[4-(3-chloro-6-benzo[b][1,4]benzoxazepinyl)-2-piperazinyl]-2-methylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[4-(3-chlorobenzo[b][1,4]benzoxazepin-6-yl)piperazin-2-yl]-2-methylbutanoate Traditional Name: 2-[4-(3-chlorobenzo[b][1,4]benzoxazepin-6-yl)piperazin-2-yl]-2-methyl-butyric acid ethyl ester Formula: C24H28ClN3O3 MolecularWeight: 441.95042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C42)C(=O)OCC

Isomeric SMILES

CCC(C)(C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C42)C(=O)OCC

InChI

InChI=1S/C24H28ClN3O3/c1-4-24(3,23(29)30-5-2)21-15-28(13-12-26-21)22-17-8-6-7-9-19(17)31-20-11-10-16(25)14-18(20)27-22/h6-11,14,21,26H,4-5,12-13,15H2,1-3H3