3-chloranyl-6-(4-hexylpiperazin-1-yl)benzo[b][1,4]benzoxazepine

Systemtic Name: 3-chloranyl-6-(4-hexylpiperazin-1-yl)benzo[b][1,4]benzoxazepine Openeye Name: 3-chloro-6-(4-hexylpiperazin-1-yl)benzo[b][1,4]benzoxazepine CAS Name: 3-chloro-6-(4-hexyl-1-piperazinyl)benzo[b][1,4]benzoxazepine IUPAC Name: 3-chloro-6-(4-hexylpiperazin-1-yl)benzo[b][1,4]benzoxazepine Traditional Name: 3-chloro-6-(4-hexylpiperazino)benzo[b][1,4]benzoxazepine Formula: C23H28ClN3O MolecularWeight: 397.94092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C42

Isomeric SMILES

CCCCCCN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C42

InChI

InChI=1S/C23H28ClN3O/c1-2-3-4-7-12-26-13-15-27(16-14-26)23-19-8-5-6-9-21(19)28-22-11-10-18(24)17-20(22)25-23/h5-6,8-11,17H,2-4,7,12-16H2,1H3