[(2S)-butan-2-yl] 2-[4-(3-chloranylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-2-yl]ethanoate

Systemtic Name: [(2S)-butan-2-yl] 2-[4-(3-chloranylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-2-yl]ethanoate Openeye Name: [(1S)-1-methylpropyl] 2-[4-(3-chlorobenzo[b][1,4]benzoxazepin-6-yl)piperazin-2-yl]acetate CAS Name: 2-[4-(3-chloro-6-benzo[b][1,4]benzoxazepinyl)-2-piperazinyl]acetic acid [(2S)-butan-2-yl] ester IUPAC Name: [(2S)-butan-2-yl] 2-[4-(3-chlorobenzo[b][1,4]benzoxazepin-6-yl)piperazin-2-yl]acetate Traditional Name: 2-[4-(3-chlorobenzo[b][1,4]benzoxazepin-6-yl)piperazin-2-yl]acetic acid [(1S)-1-methylpropyl] ester Formula: C23H26ClN3O3 MolecularWeight: 427.92384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CC1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C42

Isomeric SMILES

CC[C@H](C)OC(=O)CC1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C42

InChI

InChI=1S/C23H26ClN3O3/c1-3-15(2)29-22(28)13-17-14-27(11-10-25-17)23-18-6-4-5-7-20(18)30-21-9-8-16(24)12-19(21)26-23/h4-9,12,15,17,25H,3,10-11,13-14H2,1-2H3/t15-,17?/m0/s1