3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

Systemtic Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone Openeye Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[2-(2-thienyl)pyrrolidin-1-yl]methanone CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-thiophen-2-yl-1-pyrrolidinyl)methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[2-(2-thienyl)pyrrolidino]methanone Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC3=C(C=C2)OCCCO3)C4=CC=CS4

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC3=C(C=C2)OCCCO3)C4=CC=CS4

InChI

InChI=1S/C18H19NO3S/c20-18(19-8-1-4-14(19)17-5-2-11-23-17)13-6-7-15-16(12-13)22-10-3-9-21-15/h2,5-7,11-12,14H,1,3-4,8-10H2