1-(3-fluoranyl-8-propan-2-yl-10,11-dihydrobenzo[d][1]benzothiepin-10-yl)-4-methyl-piperazine

Systemtic Name: 1-(3-fluoranyl-8-propan-2-yl-10,11-dihydrobenzo[d][1]benzothiepin-10-yl)-4-methyl-piperazine Openeye Name: 1-(3-fluoro-8-isopropyl-10,11-dihydrobenzo[d][1]benzothiepin-10-yl)-4-methyl-piperazine CAS Name: 1-(3-fluoro-8-propan-2-yl-10,11-dihydrobenzo[d][1]benzothiepin-10-yl)-4-methylpiperazine IUPAC Name: 1-(3-fluoro-8-propan-2-yl-10,11-dihydrobenzo[d][1]benzothiepin-10-yl)-4-methylpiperazine Traditional Name: 1-(3-fluoro-8-isopropyl-10,11-dihydrobenzo[d][1]benzothiepin-10-yl)-4-methyl-piperazine Formula: C22H27FN2S MolecularWeight: 370.526583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(CC2=C1C=CSC3=C2C=CC(=C3)F)N4CCN(CC4)C

Isomeric SMILES

CC(C)C1=CC(CC2=C1C=CSC3=C2C=CC(=C3)F)N4CCN(CC4)C

InChI

InChI=1S/C22H27FN2S/c1-15(2)20-13-17(25-9-7-24(3)8-10-25)14-21-18(20)6-11-26-22-12-16(23)4-5-19(21)22/h4-6,11-13,15,17H,7-10,14H2,1-3H3