1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-prop-2-ynyl-piperazine

Systemtic Name: 1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-prop-2-ynyl-piperazine Openeye Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-prop-2-ynyl-piperazine CAS Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-prop-2-ynylpiperazine IUPAC Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-prop-2-ynylpiperazine Traditional Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-propargyl-piperazine Formula: C21H21ClN2S MolecularWeight: 368.92284

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl

Isomeric SMILES

C#CCN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN2S/c1-2-9-23-10-12-24(13-11-23)19-14-16-5-3-4-6-20(16)25-21-8-7-17(22)15-18(19)21/h1,3-8,15,19H,9-14H2