[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(6-fluoranyl-1-benzothiophen-2-yl)methanone

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(6-fluoranyl-1-benzothiophen-2-yl)methanone Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(6-fluorobenzothiophen-2-yl)methanone CAS Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-(6-fluoro-1-benzothiophen-2-yl)methanone IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(6-fluoro-1-benzothiophen-2-yl)methanone Traditional Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-(6-fluorobenzothiophen-2-yl)methanone Formula: C22H20FNO3S MolecularWeight: 397.462503

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC3=C(S2)C=C(C=C3)F)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC3=C(S2)C=C(C=C3)F)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C22H20FNO3S/c23-16-6-4-15-12-21(28-20(15)13-16)22(25)24-8-1-3-17(24)14-5-7-18-19(11-14)27-10-2-9-26-18/h4-7,11-13,17H,1-3,8-10H2