1-(3-chloranyl-9-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-prop-2-ynyl-piperazine

Systemtic Name: 1-(3-chloranyl-9-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-prop-2-ynyl-piperazine Openeye Name: 1-(3-chloro-9-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-prop-2-ynyl-piperazine CAS Name: 1-(3-chloro-9-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-prop-2-ynylpiperazine IUPAC Name: 1-(3-chloro-9-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-prop-2-ynylpiperazine Traditional Name: 1-(3-chloro-9-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-propargyl-piperazine Formula: C22H23ClN2OS MolecularWeight: 398.94882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CC(C3=C(S2)C=CC(=C3)Cl)N4CCN(CC4)CC#C)C=C1

Isomeric SMILES

COC1=CC2=C(CC(C3=C(S2)C=CC(=C3)Cl)N4CCN(CC4)CC#C)C=C1

InChI

InChI=1S/C22H23ClN2OS/c1-3-8-24-9-11-25(12-10-24)20-13-16-4-6-18(26-2)15-22(16)27-21-7-5-17(23)14-19(20)21/h1,4-7,14-15,20H,8-13H2,2H3