1-[3-(3-chloranylbenzo[b][1]benzothiepin-5-yl)prop-2-ynyl]piperidine

Systemtic Name: 1-[3-(3-chloranylbenzo[b][1]benzothiepin-5-yl)prop-2-ynyl]piperidine Openeye Name: 1-[3-(3-chlorobenzo[b][1]benzothiepin-5-yl)prop-2-ynyl]piperidine CAS Name: 1-[3-(3-chloro-5-benzo[b][1]benzothiepinyl)prop-2-ynyl]piperidine IUPAC Name: 1-[3-(3-chlorobenzo[b][1]benzothiepin-5-yl)prop-2-ynyl]piperidine Traditional Name: 1-[3-(3-chlorobenzo[b][1]benzothiepin-5-yl)prop-2-ynyl]piperidine Formula: C22H20ClNS MolecularWeight: 365.9189

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC#CC2=CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl

Isomeric SMILES

C1CCN(CC1)CC#CC2=CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C22H20ClNS/c23-19-10-11-22-20(16-19)17(8-6-14-24-12-4-1-5-13-24)15-18-7-2-3-9-21(18)25-22/h2-3,7,9-11,15-16H,1,4-5,12-14H2