1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-thiophen-2-yl-butan-1-one

Systemtic Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-(2-thienyl)butan-1-one CAS Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-4-(2-thienyl)butan-1-one Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCCC2=CC=CS2)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CC(N(C1)C(=O)CCCC2=CC=CS2)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H25NO3S/c23-21(8-1-5-17-6-3-14-26-17)22-11-2-7-18(22)16-9-10-19-20(15-16)25-13-4-12-24-19/h3,6,9-10,14-15,18H,1-2,4-5,7-8,11-13H2