5-[(5-chloranylthiophen-2-yl)methyl]-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one

Systemtic Name: 5-[(5-chloranylthiophen-2-yl)methyl]-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 5-[(5-chloro-2-thienyl)methyl]-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one CAS Name: 5-[(5-chloro-2-thiophenyl)methyl]-10-(1-piperazinyl)-6-benzo[b][1,4]benzoxazepinone IUPAC Name: 5-[(5-chlorothiophen-2-yl)methyl]-10-piperazin-1-ylbenzo[b][1,4]benzoxazepin-6-one Traditional Name: 5-[(5-chloro-2-thienyl)methyl]-10-piperazino-benzo[b][1,4]benzoxazepin-6-one Formula: C22H20ClN3O2S MolecularWeight: 425.9311

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=CC3=C2OC4=CC=CC=C4N(C3=O)CC5=CC=C(S5)Cl

Isomeric SMILES

C1CN(CCN1)C2=CC=CC3=C2OC4=CC=CC=C4N(C3=O)CC5=CC=C(S5)Cl

InChI

InChI=1S/C22H20ClN3O2S/c23-20-9-8-15(29-20)14-26-17-5-1-2-7-19(17)28-21-16(22(26)27)4-3-6-18(21)25-12-10-24-11-13-25/h1-9,24H,10-14H2