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

Systemtic Name: 1-benzothiophen-3-yl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methanone Openeye Name: benzothiophen-3-yl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methanone CAS Name: 1-benzothiophen-3-yl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]methanone IUPAC Name: 1-benzothiophen-3-yl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methanone Traditional Name: benzothiophen-3-yl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]methanone Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CSC3=CC=CC=C32)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CSC3=CC=CC=C32)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C22H21NO3S/c24-22(17-14-27-21-7-2-1-5-16(17)21)23-10-3-6-18(23)15-8-9-19-20(13-15)26-12-4-11-25-19/h1-2,5,7-9,13-14,18H,3-4,6,10-12H2