9-fluoranyl-5-[4-(2-hydroxyethyl)piperazin-1-yl]-5,6-dihydrobenzo[b][1]benzothiepine-3-carbonitrile

Systemtic Name: 9-fluoranyl-5-[4-(2-hydroxyethyl)piperazin-1-yl]-5,6-dihydrobenzo[b][1]benzothiepine-3-carbonitrile Openeye Name: 9-fluoro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-5,6-dihydrobenzo[b][1]benzothiepine-3-carbonitrile CAS Name: 9-fluoro-5-[4-(2-hydroxyethyl)-1-piperazinyl]-5,6-dihydrobenzo[b][1]benzothiepin-3-carbonitrile IUPAC Name: 9-fluoro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-5,6-dihydrobenzo[b][1]benzothiepine-3-carbonitrile Traditional Name: 9-fluoro-5-[4-(2-hydroxyethyl)piperazino]-5,6-dihydrobenzo[b][1]benzothiepin-3-carbonitrile Formula: C21H22FN3OS MolecularWeight: 383.482283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2CC3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1CCO)C2CC3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)C#N

InChI

InChI=1S/C21H22FN3OS/c22-17-3-2-16-12-19(25-7-5-24(6-8-25)9-10-26)18-11-15(14-23)1-4-20(18)27-21(16)13-17/h1-4,11,13,19,26H,5-10,12H2