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

Systemtic Name: 1-(9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-propan-2-yl-piperazine Openeye Name: 1-(9-fluoro-3-isopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-isopropyl-piperazine CAS Name: 1-(9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-propan-2-ylpiperazine IUPAC Name: 1-(9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-propan-2-ylpiperazine Traditional Name: 1-(9-fluoro-3-isopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-isopropyl-piperazine Formula: C24H31FN2S MolecularWeight: 398.579743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)SC3=C(CC2N4CCN(CC4)C(C)C)C=CC(=C3)F

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)SC3=C(CC2N4CCN(CC4)C(C)C)C=CC(=C3)F

InChI

InChI=1S/C24H31FN2S/c1-16(2)18-6-8-23-21(13-18)22(27-11-9-26(10-12-27)17(3)4)14-19-5-7-20(25)15-24(19)28-23/h5-8,13,15-17,22H,9-12,14H2,1-4H3