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

Systemtic Name: 1-(3-fluoranyl-9-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-prop-2-ynyl-piperazine Openeye Name: 1-(3-fluoro-9-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-prop-2-ynyl-piperazine CAS Name: 1-(3-fluoro-9-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-prop-2-ynylpiperazine IUPAC Name: 1-(3-fluoro-9-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-prop-2-ynylpiperazine Traditional Name: 1-(3-fluoro-9-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-propargyl-piperazine Formula: C22H23FN2S MolecularWeight: 366.494823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(C3=C(S2)C=CC(=C3)F)N4CCN(CC4)CC#C)C=C1

Isomeric SMILES

CC1=CC2=C(CC(C3=C(S2)C=CC(=C3)F)N4CCN(CC4)CC#C)C=C1

InChI

InChI=1S/C22H23FN2S/c1-3-8-24-9-11-25(12-10-24)20-14-17-5-4-16(2)13-22(17)26-21-7-6-18(23)15-19(20)21/h1,4-7,13,15,20H,8-12,14H2,2H3