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

Systemtic Name: ethyl 4-(9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(9-fluoro-3-isopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carboxylate CAS Name: 4-(9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carboxylate Traditional Name: 4-(9-fluoro-3-isopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carboxylic acid ethyl ester Formula: C24H29FN2O2S MolecularWeight: 428.562663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CC3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)C(C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2CC3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)C(C)C

InChI

InChI=1S/C24H29FN2O2S/c1-4-29-24(28)27-11-9-26(10-12-27)21-14-18-5-7-19(25)15-23(18)30-22-8-6-17(16(2)3)13-20(21)22/h5-8,13,15-16,21H,4,9-12,14H2,1-3H3